USER MOD reduce.3.24.130724 H: found=0, std=0, add=1705, rem=0, adj=57 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR 23-JUL-12 4G8Z TITLE PCDHFR K37S/F69N DOUBLE MUTANT TMP NADPH TERNARY COMPLEX COMPND MOL_ID: 1; COMPND 2 MOLECULE: DIHYDROFOLATE REDUCTASE; COMPND 3 CHAIN: X; COMPND 4 FRAGMENT: DIHYDROFOLATE REDUCTASE; COMPND 5 EC: 1.5.1.3; COMPND 6 ENGINEERED: YES; COMPND 7 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PNEUMOCYSTIS JIROVECII; SOURCE 3 ORGANISM_TAXID: 42068; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: ROSETTA GAMI B (DE3); SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PET-SUMO KEYWDS MUTANT PCDHFR INHIBITOR COMPLEX, TMP/NADPH LIGANDS, K37S AND F69N KEYWDS 2 MUTATIONS, OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR V.CODY REVDAT 1 29-MAY-13 4G8Z 0 JRNL AUTH V.CODY,J.PACE,S.F.QUEENER,O.O.ADAIR,A.GANGJEE JRNL TITL KINETIC AND STRUCTURAL ANALYSIS FOR POTENT ANTIFOLATE JRNL TITL 2 INHIBITION OF PNEUMOCYSTIS JIROVECII, PNEUMOCYSTIS CARINII, JRNL TITL 3 AND HUMAN DIHYDROFOLATE REDUCTASES AND THEIR ACTIVE-SITE JRNL TITL 4 VARIANTS. JRNL REF ANTIMICROB.AGENTS CHEMOTHER. V. 57 2669 2013 JRNL REFN ISSN 0066-4804 JRNL PMID 23545530 JRNL DOI 10.1128/AAC.00172-13 REMARK 2 REMARK 2 RESOLUTION. 1.75 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.5.0088 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.75 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 37.04 REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 COMPLETENESS FOR RANGE (%) : 98.3 REMARK 3 NUMBER OF REFLECTIONS : 17616 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING + TEST SET) : 0.261 REMARK 3 R VALUE (WORKING SET) : 0.259 REMARK 3 FREE R VALUE : 0.316 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.100 REMARK 3 FREE R VALUE TEST SET COUNT : 953 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.75 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.79 REMARK 3 REFLECTION IN BIN (WORKING SET) : 1287 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 97.20 REMARK 3 BIN R VALUE (WORKING SET) : 0.4110 REMARK 3 BIN FREE R VALUE SET COUNT : 69 REMARK 3 BIN FREE R VALUE : 0.4300 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1649 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 69 REMARK 3 SOLVENT ATOMS : 26 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 26.57 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.04000 REMARK 3 B22 (A**2) : 0.05000 REMARK 3 B33 (A**2) : -0.09000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : -0.01000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.184 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.176 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.168 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 5.366 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.922 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.894 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1723 ; 0.024 ; 0.022 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 2336 ; 2.299 ; 1.997 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 194 ; 8.212 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 74 ;34.184 ;23.108 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 303 ;18.586 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 11 ;22.303 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 253 ; 0.151 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 1263 ; 0.011 ; 0.021 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 976 ; 1.323 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1587 ; 2.197 ; 2.000 REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 747 ; 3.072 ; 3.000 REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 749 ; 4.156 ; 4.500 REMARK 3 REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 NCS RESTRAINTS STATISTICS REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : MASK REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.40 REMARK 3 ION PROBE RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.80 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE RIDING REMARK 3 POSITIONS REMARK 4 REMARK 4 4G8Z COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 01-AUG-12. REMARK 100 THE RCSB ID CODE IS RCSB073888. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 11-FEB-11 REMARK 200 TEMPERATURE (KELVIN) : 113 REMARK 200 PH : 6.0 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : SSRL REMARK 200 BEAMLINE : BL9-2 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.975 REMARK 200 MONOCHROMATOR : GRAPHITE REMARK 200 OPTICS : MIRRORS REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : MARMOSAIC 325 MM CCD REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM REMARK 200 DATA SCALING SOFTWARE : SCALA REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 18585 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.750 REMARK 200 RESOLUTION RANGE LOW (A) : 37.040 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 2.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 98.6 REMARK 200 DATA REDUNDANCY : 3.800 REMARK 200 R MERGE (I) : 0.21000 REMARK 200 R SYM (I) : 0.19000 REMARK 200 FOR THE DATA SET : 4.1000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.75 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.84 REMARK 200 COMPLETENESS FOR SHELL (%) : 97.5 REMARK 200 DATA REDUNDANCY IN SHELL : 3.80 REMARK 200 R MERGE FOR SHELL (I) : 0.32000 REMARK 200 R SYM FOR SHELL (I) : 1.50000 REMARK 200 FOR SHELL : 1.900 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: MOLREP REMARK 200 STARTING MODEL: PDB ENTRY 1DYR REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 38.64 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.00 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 33-36% PEG 2K, 50 MM MES, PH 6.0, 100 REMARK 280 MM KCL, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 287K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 21.39150 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 300 REMARK: SINGLE POLYPEPTIDE CHAIN REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 APPLY THE FOLLOWING TO CHAINS: X REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 475 REMARK 475 ZERO OCCUPANCY RESIDUES REMARK 475 THE FOLLOWING RESIDUES WERE MODELED WITH ZERO OCCUPANCY. REMARK 475 THE LOCATION AND PROPERTIES OF THESE RESIDUES MAY NOT REMARK 475 BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 475 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE) REMARK 475 M RES C SSEQI REMARK 475 ALA X 84 REMARK 475 ALA X 85 REMARK 475 ALA X 86 REMARK 475 ALA X 87 REMARK 475 ALA X 88 REMARK 475 ALA X 89 REMARK 475 ALA X 90 REMARK 475 ALA X 91 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 SER X 22 N - CA - CB ANGL. DEV. = 11.3 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 GLN X 4 -76.87 -89.95 REMARK 500 ARG X 21 108.45 -166.27 REMARK 500 SER X 22 27.66 87.15 REMARK 500 PRO X 26 9.86 -65.41 REMARK 500 SER X 48 -33.08 -140.44 REMARK 500 ALA X 85 -136.11 101.69 REMARK 500 ALA X 90 53.15 -90.69 REMARK 500 ALA X 91 -13.79 144.92 REMARK 500 TYR X 109 60.67 -116.17 REMARK 500 ASN X 118 -89.42 -99.77 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS REMARK 500 REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES. REMARK 500 MODEL OMEGA REMARK 500 ALA X 84 ALA X 85 146.93 REMARK 500 ALA X 85 ALA X 86 148.27 REMARK 500 ALA X 91 ILE X 92 -144.60 REMARK 500 GLY X 124 GLY X 125 -131.92 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CHIRAL CENTERS REMARK 500 REMARK 500 UNEXPECTED CONFIGURATION OF THE FOLLOWING CHIRAL REMARK 500 CENTER(S) USING IMPROPER CA--C--CB--N CHIRALITY REMARK 500 FOR AMINO ACIDS AND C1'--O4'--N1(N9)--C2' FOR REMARK 500 NUCLEIC ACIDS OR EQUIVALENT ANGLE REMARK 500 M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,6X,F5.1,6X,A1,10X,A1,3X,A16) REMARK 500 REMARK 500 M RES CSSEQI IMPROPER EXPECTED FOUND DETAILS REMARK 500 SER X 22 9.8 L L EXPECTING SP3 REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE TOP X 301 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NDP X 302 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1DYR RELATED DB: PDB REMARK 900 PCDHFR-TMP NADPH DBREF 4G8Z X 3 206 UNP P16184 DYR_PNECA 3 206 SEQADV 4G8Z SER X 37 UNP P16184 LYS 37 ENGINEERED MUTATION SEQADV 4G8Z ASN X 69 UNP P16184 PHE 69 ENGINEERED MUTATION SEQADV 4G8Z ALA X 84 UNP P16184 GLU 84 CONFLICT SEQADV 4G8Z ALA X 85 UNP P16184 SER 85 CONFLICT SEQADV 4G8Z ALA X 86 UNP P16184 LEU 86 CONFLICT SEQADV 4G8Z ALA X 87 UNP P16184 ASP 87 CONFLICT SEQADV 4G8Z ALA X 88 UNP P16184 LEU 88 CONFLICT SEQADV 4G8Z ALA X 89 UNP P16184 GLY 89 CONFLICT SEQADV 4G8Z ALA X 90 UNP P16184 ASN 90 CONFLICT SEQADV 4G8Z ALA X 91 UNP P16184 GLY 91 CONFLICT SEQRES 1 X 204 GLN GLN LYS SER LEU THR LEU ILE VAL ALA LEU THR THR SEQRES 2 X 204 SER TYR GLY ILE GLY ARG SER ASN SER LEU PRO TRP LYS SEQRES 3 X 204 LEU LYS LYS GLU ILE SER TYR PHE SER ARG VAL THR SER SEQRES 4 X 204 PHE VAL PRO THR PHE ASP SER PHE GLU SER MET ASN VAL SEQRES 5 X 204 VAL LEU MET GLY ARG LYS THR TRP GLU SER ILE PRO LEU SEQRES 6 X 204 GLN ASN ARG PRO LEU LYS GLY ARG ILE ASN VAL VAL ILE SEQRES 7 X 204 THR ARG ASN ALA ALA ALA ALA ALA ALA ALA ALA ILE HIS SEQRES 8 X 204 SER ALA LYS SER LEU ASP HIS ALA LEU GLU LEU LEU TYR SEQRES 9 X 204 ARG THR TYR GLY SER GLU SER SER VAL GLN ILE ASN ARG SEQRES 10 X 204 ILE PHE VAL ILE GLY GLY ALA GLN LEU TYR LYS ALA ALA SEQRES 11 X 204 MET ASP HIS PRO LYS LEU ASP ARG ILE MET ALA THR ILE SEQRES 12 X 204 ILE TYR LYS ASP ILE HIS CYS ASP VAL PHE PHE PRO LEU SEQRES 13 X 204 LYS PHE ARG ASP LYS GLU TRP SER SER VAL TRP LYS LYS SEQRES 14 X 204 GLU LYS HIS SER ASP LEU GLU SER TRP VAL GLY THR LYS SEQRES 15 X 204 VAL PRO HIS GLY LYS ILE ASN GLU ASP GLY PHE ASP TYR SEQRES 16 X 204 GLU PHE GLU MET TRP THR ARG ASP LEU HET TOP X 301 21 HET NDP X 302 48 HETNAM TOP TRIMETHOPRIM HETNAM NDP NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE HETNAM 2 NDP PHOSPHATE FORMUL 2 TOP C14 H18 N4 O3 FORMUL 3 NDP C21 H30 N7 O17 P3 FORMUL 4 HOH *26(H2 O) HELIX 1 1 LEU X 29 PHE X 42 1 14 HELIX 2 2 ARG X 59 ILE X 65 1 7 HELIX 3 3 PRO X 66 ARG X 70 5 5 HELIX 4 4 SER X 97 TYR X 109 1 13 HELIX 5 5 GLY X 125 HIS X 135 1 11 HELIX 6 6 ASP X 162 SER X 166 5 5 HELIX 7 7 LYS X 173 GLY X 182 1 10 SHEET 1 A 8 HIS X 93 ALA X 95 0 SHEET 2 A 8 ILE X 76 ILE X 80 1 N VAL X 79 O ALA X 95 SHEET 3 A 8 SER X 51 GLY X 58 1 N VAL X 55 O ILE X 76 SHEET 4 A 8 GLN X 116 GLY X 124 1 O PHE X 121 N VAL X 54 SHEET 5 A 8 LEU X 7 THR X 14 1 N THR X 8 O VAL X 122 SHEET 6 A 8 LEU X 138 ILE X 146 1 O THR X 144 N VAL X 11 SHEET 7 A 8 PHE X 195 THR X 203 -1 O GLU X 198 N ILE X 145 SHEET 8 A 8 LYS X 170 LYS X 171 -1 N LYS X 170 O THR X 203 SHEET 1 B 8 HIS X 93 ALA X 95 0 SHEET 2 B 8 ILE X 76 ILE X 80 1 N VAL X 79 O ALA X 95 SHEET 3 B 8 SER X 51 GLY X 58 1 N VAL X 55 O ILE X 76 SHEET 4 B 8 GLN X 116 GLY X 124 1 O PHE X 121 N VAL X 54 SHEET 5 B 8 LEU X 7 THR X 14 1 N THR X 8 O VAL X 122 SHEET 6 B 8 LEU X 138 ILE X 146 1 O THR X 144 N VAL X 11 SHEET 7 B 8 PHE X 195 THR X 203 -1 O GLU X 198 N ILE X 145 SHEET 8 B 8 ILE X 190 GLU X 192 -1 N ILE X 190 O TYR X 197 SHEET 1 C 2 GLY X 18 GLY X 20 0 SHEET 2 C 2 VAL X 154 PHE X 155 -1 O VAL X 154 N ILE X 19 CISPEP 1 ARG X 70 PRO X 71 0 -0.70 SITE *** AC1 12 ILE X 10 VAL X 11 ALA X 12 LEU X 25 SITE *** AC1 12 GLU X 32 PHE X 36 SER X 64 PRO X 66 SITE *** AC1 12 ILE X 123 TYR X 129 THR X 144 NDP X 302 SITE *** AC2 25 VAL X 11 ALA X 12 ILE X 19 GLY X 20 SITE *** AC2 25 ASN X 23 SER X 24 LEU X 25 GLY X 58 SITE *** AC2 25 ARG X 59 LYS X 60 THR X 61 ILE X 80 SITE *** AC2 25 THR X 81 ARG X 82 LYS X 96 ILE X 123 SITE *** AC2 25 GLY X 124 GLY X 125 ALA X 126 GLN X 127 SITE *** AC2 25 LEU X 128 TYR X 129 ALA X 131 TOP X 301 SITE *** AC2 25 HOH X 406 CRYST1 37.157 42.783 59.172 90.00 94.78 90.00 P 1 21 1 2 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.026913 0.000000 0.002250 0.00000 SCALE2 0.000000 0.023374 0.000000 0.00000 SCALE3 0.000000 0.000000 0.016959 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: X 53 ASN : amide:sc=-0.00357 K(o=0.15,f=-6.7!) USER MOD Set 1.2: X 118 ASN :FLIP amide:sc= 0.156 F(o=-0.4,f=0.15) USER MOD Set 2.1: X 97 SER OG : rot -117:sc= 1.5 USER MOD Set 2.2: X 100 HIS :FLIP no HD1:sc= 0.528 F(o=-1.3,f=2) USER MOD Set 3.1: X 93 HIS : no HE2:sc= 1.1 K(o=2.4,f=-5.7!) USER MOD Set 3.2: X 109 TYR OH : rot 168:sc= 1.33 USER MOD Set 4.1: X 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: X 77 ASN : amide:sc= 0.151 K(o=0.15,f=-5.9!) USER MOD Set 5.1: X 35 TYR OH : rot 100:sc= 1.11 USER MOD Set 5.2: X 142 MET CE :methyl -165:sc= -1.02 (180deg=-0.904) USER MOD Single : X 3 GLN : amide:sc= 0.698 K(o=0.7,f=-0.024) USER MOD Single : X 4 GLN : amide:sc= 0 X(o=0,f=0.079) USER MOD Single : X 5 LYS NZ :NH3+ 179:sc= 0.15 (180deg=0.12) USER MOD Single : X 6 SER OG : rot 175:sc= 0.0247 USER MOD Single : X 8 THR OG1 : rot -168:sc= 0.796 USER MOD Single : X 14 THR OG1 : rot -170:sc= 0.958 USER MOD Single : X 15 THR OG1 : rot 180:sc= 0 USER MOD Single : X 16 SER OG : rot 85:sc= 0.526 USER MOD Single : X 17 TYR OH : rot -162:sc= 0.698 USER MOD Single : X 22 SER OG : rot 180:sc= 0 USER MOD Single : X 23 ASN :FLIP amide:sc= 0.123 F(o=-2.2,f=0.12) USER MOD Single : X 24 SER OG : rot 180:sc= 0 USER MOD Single : X 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 30 LYS NZ :NH3+ -137:sc= -2.72! (180deg=-4.62!) USER MOD Single : X 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 34 SER OG : rot 180:sc= 0 USER MOD Single : X 37 SER OG : rot 69:sc= 0.367 USER MOD Single : X 40 THR OG1 : rot -72:sc= 0.821 USER MOD Single : X 41 SER OG : rot 96:sc= 0.16 USER MOD Single : X 45 THR OG1 : rot 180:sc= 0 USER MOD Single : X 48 SER OG : rot 77:sc= -1.34! USER MOD Single : X 51 SER OG : rot -170:sc= 0 USER MOD Single : X 52 MET CE :methyl -135:sc= -1.23 (180deg=-2.42) USER MOD Single : X 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 61 THR OG1 : rot 89:sc= 1.1 USER MOD Single : X 64 SER OG : rot 106:sc= 1.27 USER MOD Single : X 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : X 69 ASN : amide:sc= -0.294 X(o=-0.29,f=-0.4) USER MOD Single : X 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 81 THR OG1 : rot 110:sc= 0.918 USER MOD Single : X 83 ASN : amide:sc= -0.0238 K(o=-0.024,f=-1.3!) USER MOD Single : X 94 SER OG : rot 180:sc= 0 USER MOD Single : X 96 LYS NZ :NH3+ 158:sc= -0.0892 (180deg=-0.358) USER MOD Single : X 106 TYR OH : rot 180:sc= -0.0261 USER MOD Single : X 108 THR OG1 : rot 66:sc= 0.397 USER MOD Single : X 111 SER OG : rot 180:sc= 0 USER MOD Single : X 113 SER OG : rot -117:sc= 0.912 USER MOD Single : X 114 SER OG : rot 180:sc= 0 USER MOD Single : X 116 GLN : amide:sc= -1.63! C(o=-1.6!,f=-2.6!) USER MOD Single : X 127 GLN : amide:sc= -0.35 K(o=-0.35,f=-1.3) USER MOD Single : X 129 TYR OH : rot -69:sc= 0.513 USER MOD Single : X 130 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.162) USER MOD Single : X 133 MET CE :methyl -145:sc= -0.289 (180deg=-0.74) USER MOD Single : X 135 HIS :FLIP no HD1:sc= 1.03 F(o=-6!,f=1) USER MOD Single : X 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 144 THR OG1 : rot 167:sc= 1.77 USER MOD Single : X 147 TYR OH : rot -144:sc= 0.64 USER MOD Single : X 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 151 HIS : no HD1:sc= -0.0567 X(o=-0.057,f=0) USER MOD Single : X 152 CYS SG : rot 67:sc= -1.49 USER MOD Single : X 159 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 163 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 166 SER OG : rot -68:sc= 1.28 USER MOD Single : X 167 SER OG : rot -51:sc= 0.752 USER MOD Single : X 170 LYS NZ :NH3+ 175:sc= 0.883 (180deg=0.816) USER MOD Single : X 171 LYS NZ :NH3+ 164:sc= 0.779 (180deg=0.652) USER MOD Single : X 173 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 174 HIS : no HD1:sc= 1.04 K(o=1,f=-3.5!) USER MOD Single : X 175 SER OG : rot 180:sc= -0.144 USER MOD Single : X 179 SER OG : rot 180:sc= 0 USER MOD Single : X 183 THR OG1 : rot 180:sc= 0 USER MOD Single : X 184 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 187 HIS : no HD1:sc= -0.0147 X(o=-0.015,f=-0.11) USER MOD Single : X 189 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 191 ASN :FLIP amide:sc= 0.785 F(o=-0.19,f=0.79) USER MOD Single : X 197 TYR OH : rot 173:sc= 1.18 USER MOD Single : X 201 MET CE :methyl -174:sc= -1.72 (180deg=-1.84) USER MOD Single : X 203 THR OG1 : rot -112:sc= 1.26 USER MOD Single : X 302 NDP O2D : rot 140:sc= -0.318 USER MOD Single : X 302 NDP O3B : rot 60:sc= 0.687 USER MOD Single : X 302 NDP O3D : rot 140:sc= -0.191 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN X 3 -26.251 8.521 26.736 1.00 43.02 N ATOM 2 CA GLN X 3 -25.662 9.106 25.501 1.00 43.55 C ATOM 3 C GLN X 3 -26.580 8.788 24.302 1.00 42.77 C ATOM 4 O GLN X 3 -27.532 7.983 24.405 1.00 43.36 O ATOM 5 CB GLN X 3 -24.233 8.567 25.251 1.00 44.54 C ATOM 6 CG GLN X 3 -23.046 9.354 25.843 1.00 45.54 C ATOM 7 CD GLN X 3 -22.703 8.928 27.254 1.00 49.96 C ATOM 8 OE1 GLN X 3 -21.538 8.649 27.589 1.00 51.07 O ATOM 9 NE2 GLN X 3 -23.717 8.861 28.099 1.00 53.12 N ATOM 0 HA GLN X 3 -25.594 10.067 25.611 1.00 43.55 H new ATOM 0 HB2 GLN X 3 -24.192 7.662 25.599 1.00 44.54 H new ATOM 0 HB3 GLN X 3 -24.101 8.509 24.292 1.00 44.54 H new ATOM 0 HG2 GLN X 3 -22.269 9.233 25.276 1.00 45.54 H new ATOM 0 HG3 GLN X 3 -23.257 10.301 25.838 1.00 45.54 H new ATOM 0 HE21 GLN X 3 -24.511 9.061 27.835 1.00 53.12 H new ATOM 0 HE22 GLN X 3 -23.583 8.618 28.913 1.00 53.12 H new ATOM 10 N GLN X 4 -26.288 9.428 23.174 1.00 40.91 N ATOM 11 CA GLN X 4 -26.998 9.190 21.923 1.00 38.87 C ATOM 12 C GLN X 4 -26.352 8.072 21.078 1.00 36.09 C ATOM 13 O GLN X 4 -26.879 6.962 21.040 1.00 35.52 O ATOM 14 CB GLN X 4 -27.119 10.494 21.120 1.00 39.14 C ATOM 15 CG GLN X 4 -25.914 11.408 21.343 1.00 42.34 C ATOM 16 CD GLN X 4 -26.214 12.861 21.096 1.00 45.53 C ATOM 17 OE1 GLN X 4 -25.784 13.421 20.083 1.00 47.98 O ATOM 18 NE2 GLN X 4 -26.950 13.490 22.016 1.00 46.83 N ATOM 0 H GLN X 4 -25.666 10.018 23.113 1.00 40.91 H new ATOM 0 HA GLN X 4 -27.888 8.880 22.152 1.00 38.87 H new ATOM 0 HB2 GLN X 4 -27.198 10.287 20.176 1.00 39.14 H new ATOM 0 HB3 GLN X 4 -27.930 10.959 21.377 1.00 39.14 H new ATOM 0 HG2 GLN X 4 -25.598 11.300 22.254 1.00 42.34 H new ATOM 0 HG3 GLN X 4 -25.192 11.129 20.758 1.00 42.34 H new ATOM 0 HE21 GLN X 4 -27.230 13.063 22.708 1.00 46.83 H new ATOM 0 HE22 GLN X 4 -27.144 14.322 21.916 1.00 46.83 H new ATOM 19 N LYS X 5 -25.236 8.359 20.395 1.00 32.72 N ATOM 20 CA LYS X 5 -24.706 7.402 19.440 1.00 30.27 C ATOM 21 C LYS X 5 -23.956 6.292 20.212 1.00 28.40 C ATOM 22 O LYS X 5 -23.332 6.529 21.241 1.00 27.08 O ATOM 23 CB LYS X 5 -23.827 8.076 18.361 1.00 29.33 C ATOM 24 CG LYS X 5 -24.602 8.953 17.349 1.00 30.58 C ATOM 25 CD LYS X 5 -23.669 9.806 16.490 1.00 29.84 C ATOM 26 CE LYS X 5 -24.391 10.520 15.311 1.00 29.43 C ATOM 27 NZ LYS X 5 -25.302 9.657 14.508 1.00 27.70 N ATOM 0 H LYS X 5 -24.786 9.088 20.473 1.00 32.72 H new ATOM 0 HA LYS X 5 -25.440 7.000 18.950 1.00 30.27 H new ATOM 0 HB2 LYS X 5 -23.160 8.625 18.802 1.00 29.33 H new ATOM 0 HB3 LYS X 5 -23.350 7.387 17.873 1.00 29.33 H new ATOM 0 HG2 LYS X 5 -25.138 8.384 16.774 1.00 30.58 H new ATOM 0 HG3 LYS X 5 -25.216 9.531 17.828 1.00 30.58 H new ATOM 0 HD2 LYS X 5 -23.244 10.473 17.051 1.00 29.84 H new ATOM 0 HD3 LYS X 5 -22.963 9.243 16.135 1.00 29.84 H new ATOM 0 HE2 LYS X 5 -24.903 11.263 15.667 1.00 29.43 H new ATOM 0 HE3 LYS X 5 -23.720 10.895 14.720 1.00 29.43 H new ATOM 0 HZ1 LYS X 5 -25.683 10.143 13.867 1.00 27.70 H new ATOM 0 HZ2 LYS X 5 -24.836 8.995 14.140 1.00 27.70 H new ATOM 0 HZ3 LYS X 5 -25.932 9.317 15.037 1.00 27.70 H new ATOM 28 N SER X 6 -24.090 5.058 19.752 1.00 28.64 N ATOM 29 CA SER X 6 -23.224 3.996 20.270 1.00 25.71 C ATOM 30 C SER X 6 -21.841 4.143 19.620 1.00 24.42 C ATOM 31 O SER X 6 -21.687 4.712 18.498 1.00 23.97 O ATOM 32 CB SER X 6 -23.838 2.597 20.079 1.00 27.52 C ATOM 33 OG SER X 6 -24.613 2.464 18.896 1.00 29.30 O ATOM 0 H SER X 6 -24.659 4.812 19.156 1.00 28.64 H new ATOM 0 HA SER X 6 -23.129 4.090 21.231 1.00 25.71 H new ATOM 0 HB2 SER X 6 -23.125 1.940 20.063 1.00 27.52 H new ATOM 0 HB3 SER X 6 -24.396 2.391 20.845 1.00 27.52 H new ATOM 0 HG SER X 6 -24.867 1.667 18.815 1.00 29.30 H new ATOM 34 N LEU X 7 -20.832 3.658 20.318 1.00 21.70 N ATOM 35 CA LEU X 7 -19.497 3.548 19.728 1.00 20.29 C ATOM 36 C LEU X 7 -19.273 2.218 19.128 1.00 18.32 C ATOM 37 O LEU X 7 -19.789 1.229 19.564 1.00 14.62 O ATOM 38 CB LEU X 7 -18.372 3.791 20.714 1.00 19.71 C ATOM 39 CG LEU X 7 -18.748 4.801 21.784 1.00 19.78 C ATOM 40 CD1 LEU X 7 -17.682 4.729 22.726 1.00 9.70 C ATOM 41 CD2 LEU X 7 -18.845 6.179 21.130 1.00 22.06 C ATOM 0 H LEU X 7 -20.891 3.386 21.132 1.00 21.70 H new ATOM 0 HA LEU X 7 -19.478 4.243 19.052 1.00 20.29 H new ATOM 0 HB2 LEU X 7 -18.128 2.952 21.136 1.00 19.71 H new ATOM 0 HB3 LEU X 7 -17.589 4.106 20.236 1.00 19.71 H new ATOM 0 HG LEU X 7 -19.600 4.631 22.215 1.00 19.78 H new ATOM 0 HD11 LEU X 7 -17.848 5.352 23.451 1.00 9.70 H new ATOM 0 HD12 LEU X 7 -17.624 3.828 23.081 1.00 9.70 H new ATOM 0 HD13 LEU X 7 -16.847 4.958 22.288 1.00 9.70 H new ATOM 0 HD21 LEU X 7 -19.085 6.839 21.799 1.00 22.06 H new ATOM 0 HD22 LEU X 7 -17.989 6.413 20.738 1.00 22.06 H new ATOM 0 HD23 LEU X 7 -19.523 6.161 20.437 1.00 22.06 H new ATOM 42 N THR X 8 -18.469 2.189 18.068 1.00 16.87 N ATOM 43 CA THR X 8 -18.007 0.968 17.428 1.00 18.48 C ATOM 44 C THR X 8 -16.490 0.866 17.550 1.00 15.72 C ATOM 45 O THR X 8 -15.861 1.818 17.442 1.00 15.89 O ATOM 46 CB THR X 8 -18.336 0.913 15.923 1.00 18.96 C ATOM 47 OG1 THR X 8 -19.729 0.991 15.815 1.00 24.30 O ATOM 48 CG2 THR X 8 -17.933 -0.336 15.360 1.00 26.02 C ATOM 0 H THR X 8 -18.170 2.903 17.693 1.00 16.87 H new ATOM 0 HA THR X 8 -18.464 0.241 17.878 1.00 18.48 H new ATOM 0 HB THR X 8 -17.877 1.631 15.460 1.00 18.96 H new ATOM 0 HG1 THR X 8 -19.960 0.804 15.029 1.00 24.30 H new ATOM 0 HG21 THR X 8 -18.149 -0.350 14.414 1.00 26.02 H new ATOM 0 HG22 THR X 8 -16.976 -0.449 15.475 1.00 26.02 H new ATOM 0 HG23 THR X 8 -18.400 -1.059 15.808 1.00 26.02 H new ATOM 49 N LEU X 9 -15.968 -0.315 17.840 1.00 16.76 N ATOM 50 CA LEU X 9 -14.558 -0.537 17.996 1.00 16.74 C ATOM 51 C LEU X 9 -14.116 -1.286 16.836 1.00 14.97 C ATOM 52 O LEU X 9 -14.730 -2.194 16.430 1.00 18.59 O ATOM 53 CB LEU X 9 -14.306 -1.431 19.136 1.00 19.43 C ATOM 54 CG LEU X 9 -12.884 -1.721 19.541 1.00 18.07 C ATOM 55 CD1 LEU X 9 -12.965 -1.894 21.035 1.00 17.66 C ATOM 56 CD2 LEU X 9 -12.544 -3.018 19.009 1.00 10.98 C ATOM 0 H LEU X 9 -16.443 -1.023 17.953 1.00 16.76 H new ATOM 0 HA LEU X 9 -14.113 0.317 18.114 1.00 16.74 H new ATOM 0 HB2 LEU X 9 -14.759 -1.056 19.907 1.00 19.43 H new ATOM 0 HB3 LEU X 9 -14.733 -2.280 18.942 1.00 19.43 H new ATOM 0 HG LEU X 9 -12.255 -1.043 19.249 1.00 18.07 H new ATOM 0 HD11 LEU X 9 -12.082 -2.087 21.387 1.00 17.66 H new ATOM 0 HD12 LEU X 9 -13.302 -1.078 21.438 1.00 17.66 H new ATOM 0 HD13 LEU X 9 -13.563 -2.628 21.244 1.00 17.66 H new ATOM 0 HD21 LEU X 9 -11.631 -3.238 19.252 1.00 10.98 H new ATOM 0 HD22 LEU X 9 -13.145 -3.686 19.375 1.00 10.98 H new ATOM 0 HD23 LEU X 9 -12.627 -3.003 18.043 1.00 10.98 H new ATOM 57 N ILE X 10 -13.044 -0.869 16.280 1.00 13.82 N ATOM 58 CA ILE X 10 -12.496 -1.609 15.196 1.00 11.33 C ATOM 59 C ILE X 10 -11.037 -1.969 15.465 1.00 4.76 C ATOM 60 O ILE X 10 -10.306 -1.165 15.796 1.00 11.02 O ATOM 61 CB ILE X 10 -12.725 -0.916 13.845 1.00 13.13 C ATOM 62 CG1 ILE X 10 -12.238 -1.828 12.805 1.00 19.12 C ATOM 63 CG2 ILE X 10 -12.062 0.439 13.772 1.00 15.22 C ATOM 64 CD1 ILE X 10 -12.723 -1.391 11.466 1.00 17.55 C ATOM 0 H ILE X 10 -12.609 -0.162 16.506 1.00 13.82 H new ATOM 0 HA ILE X 10 -12.977 -2.449 15.129 1.00 11.33 H new ATOM 0 HB ILE X 10 -13.670 -0.735 13.719 1.00 13.13 H new ATOM 0 HG12 ILE X 10 -11.268 -1.850 12.813 1.00 19.12 H new ATOM 0 HG13 ILE X 10 -12.544 -2.730 12.988 1.00 19.12 H new ATOM 0 HG21 ILE X 10 -12.233 0.837 12.904 1.00 15.22 H new ATOM 0 HG22 ILE X 10 -12.421 1.013 14.467 1.00 15.22 H new ATOM 0 HG23 ILE X 10 -11.105 0.339 13.898 1.00 15.22 H new ATOM 0 HD11 ILE X 10 -12.395 -2.002 10.788 1.00 17.55 H new ATOM 0 HD12 ILE X 10 -13.693 -1.390 11.457 1.00 17.55 H new ATOM 0 HD13 ILE X 10 -12.398 -0.496 11.280 1.00 17.55 H new ATOM 65 N VAL X 11 -10.712 -3.229 15.412 1.00 8.02 N ATOM 66 CA VAL X 11 -9.390 -3.761 15.718 1.00 10.52 C ATOM 67 C VAL X 11 -9.013 -5.012 14.867 1.00 14.09 C ATOM 68 O VAL X 11 -9.905 -5.828 14.437 1.00 15.95 O ATOM 69 CB VAL X 11 -9.460 -4.181 17.252 1.00 7.63 C ATOM 70 CG1 VAL X 11 -10.185 -5.489 17.214 1.00 14.64 C ATOM 71 CG2 VAL X 11 -8.017 -4.427 17.725 1.00 8.00 C ATOM 0 H VAL X 11 -11.274 -3.840 15.187 1.00 8.02 H new ATOM 0 HA VAL X 11 -8.715 -3.093 15.520 1.00 10.52 H new ATOM 0 HB VAL X 11 -9.882 -3.527 17.831 1.00 7.63 H new ATOM 0 HG11 VAL X 11 -10.280 -5.833 18.116 1.00 14.64 H new ATOM 0 HG12 VAL X 11 -11.064 -5.361 16.823 1.00 14.64 H new ATOM 0 HG13 VAL X 11 -9.682 -6.122 16.678 1.00 14.64 H new ATOM 0 HG21 VAL X 11 -8.022 -4.686 18.660 1.00 8.00 H new ATOM 0 HG22 VAL X 11 -7.619 -5.136 17.196 1.00 8.00 H new ATOM 0 HG23 VAL X 11 -7.498 -3.614 17.618 1.00 8.00 H new ATOM 72 N ALA X 12 -7.707 -5.148 14.548 1.00 16.10 N ATOM 73 CA ALA X 12 -7.111 -6.368 14.095 1.00 15.49 C ATOM 74 C ALA X 12 -6.262 -6.992 15.163 1.00 16.17 C ATOM 75 O ALA X 12 -5.338 -6.342 15.696 1.00 17.41 O ATOM 76 CB ALA X 12 -6.239 -6.103 12.871 1.00 15.98 C ATOM 0 H ALA X 12 -7.147 -4.497 14.600 1.00 16.10 H new ATOM 0 HA ALA X 12 -7.831 -6.977 13.869 1.00 15.49 H new ATOM 0 HB1 ALA X 12 -5.840 -6.935 12.572 1.00 15.98 H new ATOM 0 HB2 ALA X 12 -6.784 -5.732 12.159 1.00 15.98 H new ATOM 0 HB3 ALA X 12 -5.538 -5.474 13.103 1.00 15.98 H new ATOM 77 N LEU X 13 -6.508 -8.279 15.404 1.00 15.73 N ATOM 78 CA LEU X 13 -5.780 -8.995 16.423 1.00 15.29 C ATOM 79 C LEU X 13 -5.502 -10.420 16.108 1.00 15.51 C ATOM 80 O LEU X 13 -6.261 -11.055 15.385 1.00 18.25 O ATOM 81 CB LEU X 13 -6.588 -8.924 17.738 1.00 14.23 C ATOM 82 CG LEU X 13 -7.988 -9.560 17.844 1.00 15.35 C ATOM 83 CD1 LEU X 13 -8.353 -9.617 19.341 1.00 20.90 C ATOM 84 CD2 LEU X 13 -9.186 -8.886 17.188 1.00 22.08 C ATOM 0 H LEU X 13 -7.094 -8.748 14.984 1.00 15.73 H new ATOM 0 HA LEU X 13 -4.913 -8.565 16.492 1.00 15.29 H new ATOM 0 HB2 LEU X 13 -6.040 -9.326 18.430 1.00 14.23 H new ATOM 0 HB3 LEU X 13 -6.685 -7.985 17.962 1.00 14.23 H new ATOM 0 HG LEU X 13 -7.871 -10.394 17.363 1.00 15.35 H new ATOM 0 HD11 LEU X 13 -9.232 -10.014 19.445 1.00 20.90 H new ATOM 0 HD12 LEU X 13 -7.698 -10.154 19.814 1.00 20.90 H new ATOM 0 HD13 LEU X 13 -8.359 -8.719 19.707 1.00 20.90 H new ATOM 0 HD21 LEU X 13 -9.983 -9.414 17.350 1.00 22.08 H new ATOM 0 HD22 LEU X 13 -9.304 -7.999 17.563 1.00 22.08 H new ATOM 0 HD23 LEU X 13 -9.034 -8.815 16.233 1.00 22.08 H new ATOM 85 N THR X 14 -4.462 -10.966 16.710 1.00 17.17 N ATOM 86 CA THR X 14 -4.205 -12.413 16.534 1.00 18.72 C ATOM 87 C THR X 14 -5.115 -13.274 17.452 1.00 20.80 C ATOM 88 O THR X 14 -5.827 -12.748 18.314 1.00 21.15 O ATOM 89 CB THR X 14 -2.700 -12.773 16.807 1.00 18.44 C ATOM 90 OG1 THR X 14 -2.457 -12.729 18.216 1.00 16.71 O ATOM 91 CG2 THR X 14 -1.680 -11.812 16.192 1.00 15.40 C ATOM 0 H THR X 14 -3.902 -10.547 17.211 1.00 17.17 H new ATOM 0 HA THR X 14 -4.413 -12.616 15.609 1.00 18.72 H new ATOM 0 HB THR X 14 -2.580 -13.647 16.404 1.00 18.44 H new ATOM 0 HG1 THR X 14 -1.632 -12.791 18.360 1.00 16.71 H new ATOM 0 HG21 THR X 14 -0.783 -12.109 16.410 1.00 15.40 H new ATOM 0 HG22 THR X 14 -1.790 -11.796 15.228 1.00 15.40 H new ATOM 0 HG23 THR X 14 -1.820 -10.920 16.548 1.00 15.40 H new ATOM 92 N THR X 15 -5.014 -14.617 17.329 1.00 24.26 N ATOM 93 CA THR X 15 -5.888 -15.531 18.091 1.00 25.24 C ATOM 94 C THR X 15 -5.431 -15.518 19.529 1.00 24.51 C ATOM 95 O THR X 15 -6.191 -15.890 20.431 1.00 25.72 O ATOM 96 CB THR X 15 -5.820 -16.990 17.551 1.00 26.00 C ATOM 97 OG1 THR X 15 -4.451 -17.383 17.433 1.00 27.05 O ATOM 98 CG2 THR X 15 -6.461 -17.056 16.185 1.00 25.87 C ATOM 0 H THR X 15 -4.450 -15.011 16.813 1.00 24.26 H new ATOM 0 HA THR X 15 -6.805 -15.229 18.003 1.00 25.24 H new ATOM 0 HB THR X 15 -6.288 -17.580 18.162 1.00 26.00 H new ATOM 0 HG1 THR X 15 -4.409 -18.170 17.143 1.00 27.05 H new ATOM 0 HG21 THR X 15 -6.418 -17.965 15.851 1.00 25.87 H new ATOM 0 HG22 THR X 15 -7.389 -16.779 16.249 1.00 25.87 H new ATOM 0 HG23 THR X 15 -5.989 -16.466 15.577 1.00 25.87 H new ATOM 99 N SER X 16 -4.201 -15.064 19.748 1.00 23.01 N ATOM 100 CA SER X 16 -3.762 -14.748 21.123 1.00 23.64 C ATOM 101 C SER X 16 -3.893 -13.294 21.498 1.00 23.04 C ATOM 102 O SER X 16 -3.305 -12.851 22.496 1.00 22.56 O ATOM 103 CB SER X 16 -2.321 -15.173 21.320 1.00 24.93 C ATOM 104 OG SER X 16 -2.234 -16.574 21.276 1.00 29.90 O ATOM 0 H SER X 16 -3.611 -14.931 19.136 1.00 23.01 H new ATOM 0 HA SER X 16 -4.360 -15.244 21.705 1.00 23.64 H new ATOM 0 HB2 SER X 16 -1.762 -14.783 20.630 1.00 24.93 H new ATOM 0 HB3 SER X 16 -1.991 -14.846 22.171 1.00 24.93 H new ATOM 0 HG SER X 16 -2.169 -16.826 20.477 1.00 29.90 H new ATOM 105 N TYR X 17 -4.696 -12.532 20.745 1.00 21.68 N ATOM 106 CA TYR X 17 -5.002 -11.125 21.100 1.00 20.94 C ATOM 107 C TYR X 17 -3.838 -10.128 21.013 1.00 21.47 C ATOM 108 O TYR X 17 -3.924 -9.096 21.671 1.00 22.70 O ATOM 109 CB TYR X 17 -5.610 -11.035 22.527 1.00 19.38 C ATOM 110 CG TYR X 17 -6.927 -11.747 22.633 1.00 18.11 C ATOM 111 CD1 TYR X 17 -8.126 -11.040 22.418 1.00 18.47 C ATOM 112 CD2 TYR X 17 -6.989 -13.127 22.853 1.00 17.37 C ATOM 113 CE1 TYR X 17 -9.331 -11.651 22.470 1.00 17.50 C ATOM 114 CE2 TYR X 17 -8.245 -13.790 22.904 1.00 18.70 C ATOM 115 CZ TYR X 17 -9.402 -13.025 22.696 1.00 18.85 C ATOM 116 OH TYR X 17 -10.626 -13.623 22.750 1.00 19.00 O ATOM 0 H TYR X 17 -5.076 -12.805 20.024 1.00 21.68 H new ATOM 0 HA TYR X 17 -5.634 -10.859 20.414 1.00 20.94 H new ATOM 0 HB2 TYR X 17 -4.987 -11.415 23.166 1.00 19.38 H new ATOM 0 HB3 TYR X 17 -5.729 -10.103 22.767 1.00 19.38 H new ATOM 0 HD1 TYR X 17 -8.088 -10.129 22.235 1.00 18.47 H new ATOM 0 HD2 TYR X 17 -6.204 -13.613 22.966 1.00 17.37 H new ATOM 0 HE1 TYR X 17 -10.110 -11.156 22.355 1.00 17.50 H new ATOM 0 HE2 TYR X 17 -8.298 -14.703 23.070 1.00 18.70 H new ATOM 0 HH TYR X 17 -10.556 -14.373 23.122 1.00 19.00 H new ATOM 117 N GLY X 18 -2.765 -10.422 20.258 1.00 21.04 N ATOM 118 CA GLY X 18 -1.721 -9.420 19.923 1.00 19.59 C ATOM 119 C GLY X 18 -2.268 -8.374 18.925 1.00 19.90 C ATOM 120 O GLY X 18 -2.944 -8.759 17.962 1.00 17.61 O ATOM 0 H GLY X 18 -2.619 -11.202 19.926 1.00 21.04 H new ATOM 0 HA2 GLY X 18 -1.421 -8.976 20.732 1.00 19.59 H new ATOM 0 HA3 GLY X 18 -0.949 -9.866 19.541 1.00 19.59 H new ATOM 121 N ILE X 19 -1.941 -7.102 19.149 1.00 18.78 N ATOM 122 CA ILE X 19 -2.405 -5.940 18.338 1.00 20.92 C ATOM 123 C ILE X 19 -1.239 -5.043 17.814 1.00 21.02 C ATOM 124 O ILE X 19 -1.342 -4.411 16.744 1.00 20.90 O ATOM 125 CB ILE X 19 -3.562 -5.120 19.035 1.00 20.84 C ATOM 126 CG1 ILE X 19 -3.127 -4.384 20.335 1.00 19.96 C ATOM 127 CG2 ILE X 19 -4.772 -6.034 19.277 1.00 16.27 C ATOM 128 CD1 ILE X 19 -4.006 -3.070 20.698 1.00 17.85 C ATOM 0 H ILE X 19 -1.425 -6.870 19.797 1.00 18.78 H new ATOM 0 HA ILE X 19 -2.804 -6.325 17.542 1.00 20.92 H new ATOM 0 HB ILE X 19 -3.810 -4.409 18.423 1.00 20.84 H new ATOM 0 HG12 ILE X 19 -3.178 -5.007 21.077 1.00 19.96 H new ATOM 0 HG13 ILE X 19 -2.197 -4.122 20.248 1.00 19.96 H new ATOM 0 HG21 ILE X 19 -5.480 -5.527 19.705 1.00 16.27 H new ATOM 0 HG22 ILE X 19 -5.090 -6.381 18.429 1.00 16.27 H new ATOM 0 HG23 ILE X 19 -4.511 -6.772 19.850 1.00 16.27 H new ATOM 0 HD11 ILE X 19 -3.672 -2.673 21.517 1.00 17.85 H new ATOM 0 HD12 ILE X 19 -3.939 -2.426 19.976 1.00 17.85 H new ATOM 0 HD13 ILE X 19 -4.934 -3.324 20.818 1.00 17.85 H new ATOM 129 N GLY X 20 -0.110 -5.053 18.530 1.00 20.73 N ATOM 130 CA GLY X 20 0.950 -4.105 18.286 1.00 21.31 C ATOM 131 C GLY X 20 2.353 -4.624 18.612 1.00 24.17 C ATOM 132 O GLY X 20 2.528 -5.523 19.447 1.00 23.35 O ATOM 0 H GLY X 20 0.051 -5.611 19.165 1.00 20.73 H new ATOM 0 HA2 GLY X 20 0.924 -3.841 17.353 1.00 21.31 H new ATOM 0 HA3 GLY X 20 0.782 -3.307 18.812 1.00 21.31 H new ATOM 133 N ARG X 21 3.343 -4.056 17.931 1.00 24.87 N ATOM 134 CA ARG X 21 4.742 -4.422 18.111 1.00 28.51 C ATOM 135 C ARG X 21 5.601 -3.357 17.443 1.00 30.01 C ATOM 136 O ARG X 21 5.644 -3.263 16.216 1.00 31.03 O ATOM 137 CB ARG X 21 5.024 -5.794 17.500 1.00 28.46 C ATOM 138 CG ARG X 21 6.486 -6.033 17.159 1.00 31.72 C ATOM 139 CD ARG X 21 6.754 -7.502 16.874 1.00 33.81 C ATOM 140 NE ARG X 21 8.179 -7.815 16.910 1.00 37.86 N ATOM 141 CZ ARG X 21 8.938 -7.716 17.996 1.00 36.17 C ATOM 142 NH1 ARG X 21 8.409 -7.311 19.143 1.00 35.88 N ATOM 143 NH2 ARG X 21 10.227 -8.023 17.937 1.00 33.42 N ATOM 0 H ARG X 21 3.219 -3.440 17.344 1.00 24.87 H new ATOM 0 HA ARG X 21 4.950 -4.474 19.057 1.00 28.51 H new ATOM 0 HB2 ARG X 21 4.730 -6.480 18.120 1.00 28.46 H new ATOM 0 HB3 ARG X 21 4.493 -5.894 16.694 1.00 28.46 H new ATOM 0 HG2 ARG X 21 6.731 -5.501 16.385 1.00 31.72 H new ATOM 0 HG3 ARG X 21 7.044 -5.737 17.895 1.00 31.72 H new ATOM 0 HD2 ARG X 21 6.287 -8.048 17.526 1.00 33.81 H new ATOM 0 HD3 ARG X 21 6.395 -7.732 16.003 1.00 33.81 H new ATOM 0 HE ARG X 21 8.551 -8.081 16.182 1.00 37.86 H new ATOM 0 HH11 ARG X 21 7.573 -7.112 19.185 1.00 35.88 H new ATOM 0 HH12 ARG X 21 8.902 -7.247 19.845 1.00 35.88 H new ATOM 0 HH21 ARG X 21 10.573 -8.287 17.195 1.00 33.42 H new ATOM 0 HH22 ARG X 21 10.717 -7.958 18.641 1.00 33.42 H new ATOM 144 N SER X 22 6.273 -2.547 18.254 1.00 30.18 N ATOM 145 CA SER X 22 7.013 -1.352 17.728 1.00 30.56 C ATOM 146 C SER X 22 6.324 0.016 17.538 1.00 29.95 C ATOM 147 O SER X 22 6.702 0.817 16.674 1.00 30.64 O ATOM 148 CB SER X 22 8.326 -1.494 16.947 1.00 30.30 C ATOM 149 OG SER X 22 9.027 -2.657 17.380 1.00 31.96 O ATOM 0 H SER X 22 6.325 -2.653 19.106 1.00 30.18 H new ATOM 0 HA SER X 22 7.289 -1.344 18.658 1.00 30.56 H new ATOM 0 HB2 SER X 22 8.141 -1.554 15.997 1.00 30.30 H new ATOM 0 HB3 SER X 22 8.877 -0.707 17.080 1.00 30.30 H new ATOM 0 HG SER X 22 9.744 -2.730 16.948 1.00 31.96 H new ATOM 150 N ASN X 23 5.293 0.252 18.349 1.00 29.31 N ATOM 151 CA ASN X 23 4.279 1.254 18.012 1.00 28.63 C ATOM 152 C ASN X 23 3.848 1.159 16.555 1.00 27.92 C ATOM 153 O ASN X 23 3.594 2.173 15.889 1.00 27.97 O ATOM 154 CB ASN X 23 4.725 2.678 18.353 1.00 28.88 C ATOM 155 CG ASN X 23 3.541 3.597 18.647 1.00 29.76 C ATOM 156 OD1 ASN X 23 2.645 3.121 19.531 1.00 31.12 O flip ATOM 157 ND2 ASN X 23 3.434 4.723 18.112 1.00 27.34 N flip ATOM 0 H ASN X 23 5.162 -0.154 19.095 1.00 29.31 H new ATOM 0 HA ASN X 23 3.509 1.052 18.566 1.00 28.63 H new ATOM 0 HB2 ASN X 23 5.314 2.655 19.123 1.00 28.88 H new ATOM 0 HB3 ASN X 23 5.238 3.040 17.614 1.00 28.88 H new ATOM 0 HD21 ASN X 23 4.029 4.991 17.551 1.00 27.34 H new ATOM 0 HD22 ASN X 23 2.766 5.229 18.305 1.00 27.34 H new ATOM 158 N SER X 24 3.769 -0.072 16.054 1.00 27.11 N ATOM 159 CA SER X 24 3.165 -0.289 14.769 1.00 26.93 C ATOM 160 C SER X 24 2.445 -1.630 14.722 1.00 26.59 C ATOM 161 O SER X 24 2.423 -2.368 15.704 1.00 24.50 O ATOM 162 CB SER X 24 4.232 -0.196 13.672 1.00 26.21 C ATOM 163 OG SER X 24 5.145 -1.266 13.826 1.00 30.86 O ATOM 0 H SER X 24 4.059 -0.780 16.446 1.00 27.11 H new ATOM 0 HA SER X 24 2.501 0.401 14.616 1.00 26.93 H new ATOM 0 HB2 SER X 24 3.816 -0.233 12.796 1.00 26.21 H new ATOM 0 HB3 SER X 24 4.698 0.653 13.729 1.00 26.21 H new ATOM 0 HG SER X 24 5.732 -1.222 13.227 1.00 30.86 H new ATOM 164 N LEU X 25 1.844 -1.924 13.563 1.00 26.40 N ATOM 165 CA LEU X 25 1.176 -3.191 13.380 1.00 27.19 C ATOM 166 C LEU X 25 2.179 -4.249 13.026 1.00 28.15 C ATOM 167 O LEU X 25 2.951 -4.083 12.047 1.00 28.67 O ATOM 168 CB LEU X 25 0.091 -3.101 12.308 1.00 26.96 C ATOM 169 CG LEU X 25 -0.901 -1.927 12.350 1.00 25.55 C ATOM 170 CD1 LEU X 25 -1.580 -1.801 11.037 1.00 27.40 C ATOM 171 CD2 LEU X 25 -1.907 -2.267 13.393 1.00 26.06 C ATOM 0 H LEU X 25 1.818 -1.400 12.882 1.00 26.40 H new ATOM 0 HA LEU X 25 0.743 -3.429 14.215 1.00 27.19 H new ATOM 0 HB2 LEU X 25 0.533 -3.081 11.445 1.00 26.96 H new ATOM 0 HB3 LEU X 25 -0.425 -3.922 12.343 1.00 26.96 H new ATOM 0 HG LEU X 25 -0.451 -1.090 12.545 1.00 25.55 H new ATOM 0 HD11 LEU X 25 -2.205 -1.060 11.066 1.00 27.40 H new ATOM 0 HD12 LEU X 25 -0.920 -1.640 10.345 1.00 27.40 H new ATOM 0 HD13 LEU X 25 -2.060 -2.621 10.841 1.00 27.40 H new ATOM 0 HD21 LEU X 25 -2.560 -1.552 13.458 1.00 26.06 H new ATOM 0 HD22 LEU X 25 -2.355 -3.093 13.153 1.00 26.06 H new ATOM 0 HD23 LEU X 25 -1.462 -2.377 14.248 1.00 26.06 H new ATOM 172 N PRO X 26 2.107 -5.383 13.726 1.00 28.71 N ATOM 173 CA PRO X 26 2.996 -6.530 13.552 1.00 29.23 C ATOM 174 C PRO X 26 2.899 -7.259 12.190 1.00 29.76 C ATOM 175 O PRO X 26 3.490 -8.329 12.043 1.00 29.42 O ATOM 176 CB PRO X 26 2.521 -7.489 14.640 1.00 29.35 C ATOM 177 CG PRO X 26 1.873 -6.618 15.664 1.00 28.63 C ATOM 178 CD PRO X 26 1.167 -5.589 14.849 1.00 28.63 C ATOM 0 HA PRO X 26 3.919 -6.234 13.597 1.00 29.23 H new ATOM 0 HB2 PRO X 26 1.895 -8.140 14.286 1.00 29.35 H new ATOM 0 HB3 PRO X 26 3.263 -7.985 15.019 1.00 29.35 H new ATOM 0 HG2 PRO X 26 1.256 -7.119 16.220 1.00 28.63 H new ATOM 0 HG3 PRO X 26 2.527 -6.217 16.257 1.00 28.63 H new ATOM 0 HD2 PRO X 26 0.300 -5.900 14.544 1.00 28.63 H new ATOM 0 HD3 PRO X 26 1.015 -4.772 15.349 1.00 28.63 H new ATOM 179 N TRP X 27 2.183 -6.687 11.221 1.00 28.84 N ATOM 180 CA TRP X 27 1.967 -7.349 9.937 1.00 29.49 C ATOM 181 C TRP X 27 1.698 -6.290 8.895 1.00 30.37 C ATOM 182 O TRP X 27 1.327 -5.168 9.229 1.00 30.76 O ATOM 183 CB TRP X 27 0.753 -8.285 10.035 1.00 28.29 C ATOM 184 CG TRP X 27 -0.395 -7.641 10.714 1.00 27.22 C ATOM 185 CD1 TRP X 27 -1.234 -6.722 10.170 1.00 25.79 C ATOM 186 CD2 TRP X 27 -0.806 -7.794 12.105 1.00 26.54 C ATOM 187 NE1 TRP X 27 -2.164 -6.320 11.113 1.00 28.34 N ATOM 188 CE2 TRP X 27 -1.925 -6.959 12.300 1.00 25.10 C ATOM 189 CE3 TRP X 27 -0.356 -8.567 13.173 1.00 28.67 C ATOM 190 CZ2 TRP X 27 -2.606 -6.871 13.528 1.00 28.01 C ATOM 191 CZ3 TRP X 27 -1.042 -8.478 14.419 1.00 27.31 C ATOM 192 CH2 TRP X 27 -2.136 -7.623 14.577 1.00 25.64 C ATOM 0 H TRP X 27 1.813 -5.913 11.289 1.00 28.84 H new ATOM 0 HA TRP X 27 2.750 -7.869 9.696 1.00 29.49 H new ATOM 0 HB2 TRP X 27 0.487 -8.561 9.144 1.00 28.29 H new ATOM 0 HB3 TRP X 27 1.004 -9.088 10.518 1.00 28.29 H new ATOM 0 HD1 TRP X 27 -1.190 -6.410 9.295 1.00 25.79 H new ATOM 0 HE1 TRP X 27 -2.797 -5.754 10.974 1.00 28.34 H new ATOM 0 HE3 TRP X 27 0.378 -9.130 13.075 1.00 28.67 H new ATOM 0 HZ2 TRP X 27 -3.350 -6.322 13.626 1.00 28.01 H new ATOM 0 HZ3 TRP X 27 -0.758 -8.996 15.137 1.00 27.31 H new ATOM 0 HH2 TRP X 27 -2.553 -7.562 15.406 1.00 25.64 H new ATOM 193 N LYS X 28 1.904 -6.637 7.630 1.00 32.16 N ATOM 194 CA LYS X 28 1.646 -5.724 6.535 1.00 34.03 C ATOM 195 C LYS X 28 0.553 -6.400 5.735 1.00 34.21 C ATOM 196 O LYS X 28 0.816 -7.354 4.991 1.00 35.37 O ATOM 197 CB LYS X 28 2.921 -5.495 5.684 1.00 34.14 C ATOM 198 CG LYS X 28 3.931 -6.670 5.643 1.00 36.81 C ATOM 199 CD LYS X 28 5.354 -6.194 5.185 1.00 39.62 C ATOM 200 CE LYS X 28 6.447 -7.225 5.471 1.00 42.19 C ATOM 201 NZ LYS X 28 7.665 -7.039 4.563 1.00 41.45 N ATOM 0 H LYS X 28 2.197 -7.408 7.387 1.00 32.16 H new ATOM 0 HA LYS X 28 1.381 -4.842 6.840 1.00 34.03 H new ATOM 0 HB2 LYS X 28 2.650 -5.293 4.775 1.00 34.14 H new ATOM 0 HB3 LYS X 28 3.379 -4.710 6.024 1.00 34.14 H new ATOM 0 HG2 LYS X 28 3.992 -7.076 6.522 1.00 36.81 H new ATOM 0 HG3 LYS X 28 3.607 -7.355 5.037 1.00 36.81 H new ATOM 0 HD2 LYS X 28 5.336 -6.004 4.234 1.00 39.62 H new ATOM 0 HD3 LYS X 28 5.573 -5.364 5.636 1.00 39.62 H new ATOM 0 HE2 LYS X 28 6.722 -7.154 6.398 1.00 42.19 H new ATOM 0 HE3 LYS X 28 6.088 -8.118 5.349 1.00 42.19 H new ATOM 0 HZ1 LYS X 28 8.278 -7.654 4.758 1.00 41.45 H new ATOM 0 HZ2 LYS X 28 7.418 -7.126 3.713 1.00 41.45 H new ATOM 0 HZ3 LYS X 28 8.009 -6.228 4.690 1.00 41.45 H new ATOM 202 N LEU X 29 -0.674 -5.931 5.950 1.00 33.40 N ATOM 203 CA LEU X 29 -1.869 -6.510 5.352 1.00 33.27 C ATOM 204 C LEU X 29 -2.706 -5.425 4.684 1.00 33.12 C ATOM 205 O LEU X 29 -3.479 -4.719 5.332 1.00 32.71 O ATOM 206 CB LEU X 29 -2.700 -7.240 6.409 1.00 32.81 C ATOM 207 CG LEU X 29 -2.439 -8.741 6.558 1.00 33.75 C ATOM 208 CD1 LEU X 29 -0.990 -9.070 6.234 1.00 32.60 C ATOM 209 CD2 LEU X 29 -2.800 -9.212 7.958 1.00 34.28 C ATOM 0 H LEU X 29 -0.836 -5.255 6.457 1.00 33.40 H new ATOM 0 HA LEU X 29 -1.593 -7.152 4.679 1.00 33.27 H new ATOM 0 HB2 LEU X 29 -2.541 -6.817 7.267 1.00 32.81 H new ATOM 0 HB3 LEU X 29 -3.639 -7.113 6.199 1.00 32.81 H new ATOM 0 HG LEU X 29 -3.004 -9.212 5.925 1.00 33.75 H new ATOM 0 HD11 LEU X 29 -0.844 -10.024 6.334 1.00 32.60 H new ATOM 0 HD12 LEU X 29 -0.795 -8.807 5.321 1.00 32.60 H new ATOM 0 HD13 LEU X 29 -0.405 -8.589 6.840 1.00 32.60 H new ATOM 0 HD21 LEU X 29 -2.628 -10.164 8.034 1.00 34.28 H new ATOM 0 HD22 LEU X 29 -2.263 -8.734 8.609 1.00 34.28 H new ATOM 0 HD23 LEU X 29 -3.740 -9.039 8.126 1.00 34.28 H new ATOM 210 N LYS X 30 -2.530 -5.311 3.376 1.00 33.44 N ATOM 211 CA LYS X 30 -3.193 -4.315 2.545 1.00 33.88 C ATOM 212 C LYS X 30 -4.725 -4.429 2.492 1.00 32.44 C ATOM 213 O LYS X 30 -5.412 -3.424 2.539 1.00 32.71 O ATOM 214 CB LYS X 30 -2.663 -4.444 1.122 1.00 34.90 C ATOM 215 CG LYS X 30 -1.400 -3.651 0.806 1.00 36.48 C ATOM 216 CD LYS X 30 -1.161 -3.656 -0.714 1.00 38.97 C ATOM 217 CE LYS X 30 -2.279 -2.887 -1.488 1.00 40.30 C ATOM 218 NZ LYS X 30 -3.604 -3.635 -1.621 1.00 41.15 N ATOM 0 H LYS X 30 -2.005 -5.827 2.932 1.00 33.44 H new ATOM 0 HA LYS X 30 -2.996 -3.456 2.950 1.00 33.88 H new ATOM 0 HB2 LYS X 30 -2.488 -5.381 0.945 1.00 34.90 H new ATOM 0 HB3 LYS X 30 -3.361 -4.165 0.509 1.00 34.90 H new ATOM 0 HG2 LYS X 30 -1.489 -2.740 1.127 1.00 36.48 H new ATOM 0 HG3 LYS X 30 -0.639 -4.040 1.265 1.00 36.48 H new ATOM 0 HD2 LYS X 30 -0.300 -3.252 -0.906 1.00 38.97 H new ATOM 0 HD3 LYS X 30 -1.122 -4.572 -1.031 1.00 38.97 H new ATOM 0 HE2 LYS X 30 -2.443 -2.043 -1.038 1.00 40.30 H new ATOM 0 HE3 LYS X 30 -1.952 -2.676 -2.376 1.00 40.30 H new ATOM 0 HZ1 LYS X 30 -3.918 -3.539 -2.448 1.00 41.15 H new ATOM 0 HZ2 LYS X 30 -3.476 -4.499 -1.451 1.00 41.15 H new ATOM 0 HZ3 LYS X 30 -4.192 -3.303 -1.041 1.00 41.15 H new ATOM 219 N LYS X 31 -5.260 -5.643 2.355 1.00 31.40 N ATOM 220 CA LYS X 31 -6.714 -5.783 2.282 1.00 30.11 C ATOM 221 C LYS X 31 -7.342 -5.474 3.642 1.00 28.47 C ATOM 222 O LYS X 31 -8.474 -5.015 3.712 1.00 28.59 O ATOM 223 CB LYS X 31 -7.149 -7.145 1.693 1.00 29.22 C ATOM 224 CG LYS X 31 -7.023 -7.187 0.139 1.00 32.52 C ATOM 225 CD LYS X 31 -7.105 -5.734 -0.477 1.00 36.15 C ATOM 226 CE LYS X 31 -7.189 -5.653 -2.035 1.00 32.01 C ATOM 227 NZ LYS X 31 -8.599 -5.582 -2.538 1.00 30.67 N ATOM 0 H LYS X 31 -4.815 -6.377 2.304 1.00 31.40 H new ATOM 0 HA LYS X 31 -7.054 -5.127 1.654 1.00 30.11 H new ATOM 0 HB2 LYS X 31 -6.605 -7.850 2.078 1.00 29.22 H new ATOM 0 HB3 LYS X 31 -8.068 -7.325 1.946 1.00 29.22 H new ATOM 0 HG2 LYS X 31 -6.181 -7.600 -0.109 1.00 32.52 H new ATOM 0 HG3 LYS X 31 -7.730 -7.739 -0.231 1.00 32.52 H new ATOM 0 HD2 LYS X 31 -7.882 -5.288 -0.106 1.00 36.15 H new ATOM 0 HD3 LYS X 31 -6.326 -5.235 -0.187 1.00 36.15 H new ATOM 0 HE2 LYS X 31 -6.701 -4.872 -2.341 1.00 32.01 H new ATOM 0 HE3 LYS X 31 -6.752 -6.429 -2.419 1.00 32.01 H new ATOM 0 HZ1 LYS X 31 -8.595 -5.537 -3.427 1.00 30.67 H new ATOM 0 HZ2 LYS X 31 -9.044 -6.308 -2.280 1.00 30.67 H new ATOM 0 HZ3 LYS X 31 -8.996 -4.858 -2.207 1.00 30.67 H new ATOM 228 N GLU X 32 -6.579 -5.707 4.709 1.00 26.90 N ATOM 229 CA GLU X 32 -7.015 -5.376 6.069 1.00 26.05 C ATOM 230 C GLU X 32 -7.169 -3.836 6.257 1.00 25.86 C ATOM 231 O GLU X 32 -8.212 -3.341 6.723 1.00 24.51 O ATOM 232 CB GLU X 32 -6.050 -5.982 7.075 1.00 25.20 C ATOM 233 CG GLU X 32 -6.713 -6.262 8.433 1.00 27.08 C ATOM 234 CD GLU X 32 -7.166 -5.002 9.108 1.00 26.22 C ATOM 235 OE1 GLU X 32 -6.358 -4.025 9.116 1.00 27.84 O ATOM 236 OE2 GLU X 32 -8.271 -4.993 9.708 1.00 25.48 O ATOM 0 H GLU X 32 -5.796 -6.060 4.667 1.00 26.90 H new ATOM 0 HA GLU X 32 -7.893 -5.759 6.222 1.00 26.05 H new ATOM 0 HB2 GLU X 32 -5.692 -6.809 6.717 1.00 25.20 H new ATOM 0 HB3 GLU X 32 -5.300 -5.380 7.203 1.00 25.20 H new ATOM 0 HG2 GLU X 32 -7.473 -6.851 8.305 1.00 27.08 H new ATOM 0 HG3 GLU X 32 -6.086 -6.728 9.008 1.00 27.08 H new ATOM 237 N ILE X 33 -6.135 -3.095 5.895 1.00 25.99 N ATOM 238 CA ILE X 33 -6.150 -1.629 5.928 1.00 26.64 C ATOM 239 C ILE X 33 -7.261 -1.063 5.038 1.00 28.16 C ATOM 240 O ILE X 33 -7.958 -0.123 5.429 1.00 26.83 O ATOM 241 CB ILE X 33 -4.750 -1.049 5.574 1.00 27.10 C ATOM 242 CG1 ILE X 33 -3.776 -1.445 6.678 1.00 23.17 C ATOM 243 CG2 ILE X 33 -4.783 0.472 5.412 1.00 27.42 C ATOM 244 CD1 ILE X 33 -4.438 -1.342 8.149 1.00 16.56 C ATOM 0 H ILE X 33 -5.392 -3.427 5.618 1.00 25.99 H new ATOM 0 HA ILE X 33 -6.351 -1.348 6.834 1.00 26.64 H new ATOM 0 HB ILE X 33 -4.465 -1.414 4.721 1.00 27.10 H new ATOM 0 HG12 ILE X 33 -3.471 -2.353 6.526 1.00 23.17 H new ATOM 0 HG13 ILE X 33 -2.994 -0.872 6.637 1.00 23.17 H new ATOM 0 HG21 ILE X 33 -3.895 0.794 5.193 1.00 27.42 H new ATOM 0 HG22 ILE X 33 -5.397 0.708 4.699 1.00 27.42 H new ATOM 0 HG23 ILE X 33 -5.078 0.880 6.241 1.00 27.42 H new ATOM 0 HD11 ILE X 33 -3.785 -1.602 8.817 1.00 16.56 H new ATOM 0 HD12 ILE X 33 -4.722 -0.429 8.313 1.00 16.56 H new ATOM 0 HD13 ILE X 33 -5.206 -1.933 8.201 1.00 16.56 H new ATOM 245 N SER X 34 -7.434 -1.658 3.857 1.00 28.96 N ATOM 246 CA SER X 34 -8.525 -1.286 2.957 1.00 28.88 C ATOM 247 C SER X 34 -9.900 -1.496 3.642 1.00 28.70 C ATOM 248 O SER X 34 -10.757 -0.565 3.636 1.00 27.52 O ATOM 249 CB SER X 34 -8.396 -2.086 1.673 1.00 29.98 C ATOM 250 OG SER X 34 -9.363 -1.691 0.726 1.00 32.94 O ATOM 0 H SER X 34 -6.926 -2.284 3.557 1.00 28.96 H new ATOM 0 HA SER X 34 -8.468 -0.343 2.739 1.00 28.88 H new ATOM 0 HB2 SER X 34 -7.508 -1.965 1.302 1.00 29.98 H new ATOM 0 HB3 SER X 34 -8.496 -3.031 1.866 1.00 29.98 H new ATOM 0 HG SER X 34 -9.271 -2.145 0.025 1.00 32.94 H new ATOM 251 N TYR X 35 -10.090 -2.678 4.239 1.00 26.31 N ATOM 252 CA TYR X 35 -11.303 -3.018 4.965 1.00 27.11 C ATOM 253 C TYR X 35 -11.473 -1.948 6.033 1.00 25.95 C ATOM 254 O TYR X 35 -12.571 -1.430 6.261 1.00 26.19 O ATOM 255 CB TYR X 35 -11.166 -4.358 5.678 1.00 25.74 C ATOM 256 CG TYR X 35 -12.341 -4.706 6.568 1.00 28.97 C ATOM 257 CD1 TYR X 35 -13.510 -5.284 6.046 1.00 30.67 C ATOM 258 CD2 TYR X 35 -12.283 -4.491 7.938 1.00 26.81 C ATOM 259 CE1 TYR X 35 -14.585 -5.626 6.878 1.00 30.29 C ATOM 260 CE2 TYR X 35 -13.340 -4.828 8.763 1.00 28.28 C ATOM 261 CZ TYR X 35 -14.484 -5.391 8.233 1.00 27.73 C ATOM 262 OH TYR X 35 -15.539 -5.696 9.063 1.00 27.69 O ATOM 0 H TYR X 35 -9.505 -3.309 4.229 1.00 26.31 H new ATOM 0 HA TYR X 35 -12.050 -3.071 4.348 1.00 27.11 H new ATOM 0 HB2 TYR X 35 -11.057 -5.057 5.015 1.00 25.74 H new ATOM 0 HB3 TYR X 35 -10.358 -4.347 6.214 1.00 25.74 H new ATOM 0 HD1 TYR X 35 -13.572 -5.443 5.132 1.00 30.67 H new ATOM 0 HD2 TYR X 35 -11.518 -4.113 8.308 1.00 26.81 H new ATOM 0 HE1 TYR X 35 -15.355 -6.006 6.521 1.00 30.29 H new ATOM 0 HE2 TYR X 35 -13.280 -4.675 9.678 1.00 28.28 H new ATOM 0 HH TYR X 35 -15.394 -6.431 9.442 1.00 27.69 H new ATOM 263 N PHE X 36 -10.365 -1.605 6.666 1.00 24.90 N ATOM 264 CA PHE X 36 -10.401 -0.629 7.748 1.00 24.03 C ATOM 265 C PHE X 36 -10.877 0.708 7.174 1.00 24.11 C ATOM 266 O PHE X 36 -11.735 1.363 7.728 1.00 22.06 O ATOM 267 CB PHE X 36 -9.020 -0.426 8.314 1.00 23.61 C ATOM 268 CG PHE X 36 -8.936 0.721 9.253 1.00 23.57 C ATOM 269 CD1 PHE X 36 -9.379 0.612 10.567 1.00 23.55 C ATOM 270 CD2 PHE X 36 -8.425 1.937 8.816 1.00 20.94 C ATOM 271 CE1 PHE X 36 -9.290 1.691 11.377 1.00 22.32 C ATOM 272 CE2 PHE X 36 -8.305 3.014 9.622 1.00 19.84 C ATOM 273 CZ PHE X 36 -8.766 2.922 10.925 1.00 18.89 C ATOM 0 H PHE X 36 -9.585 -1.921 6.489 1.00 24.90 H new ATOM 0 HA PHE X 36 -10.995 -0.948 8.446 1.00 24.03 H new ATOM 0 HB2 PHE X 36 -8.743 -1.234 8.774 1.00 23.61 H new ATOM 0 HB3 PHE X 36 -8.395 -0.286 7.585 1.00 23.61 H new ATOM 0 HD1 PHE X 36 -9.730 -0.189 10.883 1.00 23.55 H new ATOM 0 HD2 PHE X 36 -8.154 2.013 7.930 1.00 20.94 H new ATOM 0 HE1 PHE X 36 -9.582 1.620 12.257 1.00 22.32 H new ATOM 0 HE2 PHE X 36 -7.921 3.801 9.309 1.00 19.84 H new ATOM 0 HZ PHE X 36 -8.731 3.658 11.492 1.00 18.89 H new ATOM 274 N SER X 37 -10.310 1.094 6.037 1.00 23.59 N ATOM 275 CA SER X 37 -10.669 2.382 5.417 1.00 24.80 C ATOM 276 C SER X 37 -12.161 2.452 5.066 1.00 25.75 C ATOM 277 O SER X 37 -12.852 3.421 5.401 1.00 25.80 O ATOM 278 CB SER X 37 -9.825 2.600 4.173 1.00 24.82 C ATOM 279 OG SER X 37 -8.490 2.744 4.568 1.00 27.44 O ATOM 0 H SER X 37 -9.722 0.637 5.607 1.00 23.59 H new ATOM 0 HA SER X 37 -10.491 3.085 6.061 1.00 24.80 H new ATOM 0 HB2 SER X 37 -9.919 1.850 3.565 1.00 24.82 H new ATOM 0 HB3 SER X 37 -10.124 3.390 3.696 1.00 24.82 H new ATOM 0 HG SER X 37 -8.201 2.009 4.854 1.00 27.44 H new ATOM 280 N ARG X 38 -12.651 1.418 4.390 1.00 26.64 N ATOM 281 CA ARG X 38 -14.049 1.365 3.978 1.00 28.18 C ATOM 282 C ARG X 38 -14.996 1.462 5.171 1.00 27.50 C ATOM 283 O ARG X 38 -15.896 2.302 5.194 1.00 27.28 O ATOM 284 CB ARG X 38 -14.326 0.082 3.192 1.00 29.15 C ATOM 285 CG ARG X 38 -15.236 0.275 1.989 1.00 33.02 C ATOM 286 CD ARG X 38 -15.054 -0.842 0.975 1.00 41.39 C ATOM 287 NE ARG X 38 -15.904 -0.659 -0.199 1.00 48.09 N ATOM 288 CZ ARG X 38 -15.475 -0.753 -1.453 1.00 51.75 C ATOM 289 NH1 ARG X 38 -16.319 -0.572 -2.460 1.00 53.12 N ATOM 290 NH2 ARG X 38 -14.202 -1.029 -1.702 1.00 52.22 N ATOM 0 H ARG X 38 -12.186 0.732 4.159 1.00 26.64 H new ATOM 0 HA ARG X 38 -14.212 2.132 3.407 1.00 28.18 H new ATOM 0 HB2 ARG X 38 -13.482 -0.290 2.891 1.00 29.15 H new ATOM 0 HB3 ARG X 38 -14.727 -0.570 3.787 1.00 29.15 H new ATOM 0 HG2 ARG X 38 -16.161 0.302 2.281 1.00 33.02 H new ATOM 0 HG3 ARG X 38 -15.046 1.129 1.570 1.00 33.02 H new ATOM 0 HD2 ARG X 38 -14.125 -0.878 0.698 1.00 41.39 H new ATOM 0 HD3 ARG X 38 -15.259 -1.693 1.392 1.00 41.39 H new ATOM 0 HE ARG X 38 -16.735 -0.479 -0.070 1.00 48.09 H new ATOM 0 HH11 ARG X 38 -17.145 -0.393 -2.302 1.00 53.12 H new ATOM 0 HH12 ARG X 38 -16.040 -0.633 -3.271 1.00 53.12 H new ATOM 0 HH21 ARG X 38 -13.652 -1.148 -1.051 1.00 52.22 H new ATOM 0 HH22 ARG X 38 -13.926 -1.089 -2.514 1.00 52.22 H new ATOM 291 N VAL X 39 -14.788 0.597 6.158 1.00 26.20 N ATOM 292 CA VAL X 39 -15.641 0.562 7.346 1.00 26.05 C ATOM 293 C VAL X 39 -15.696 1.911 8.049 1.00 25.42 C ATOM 294 O VAL X 39 -16.766 2.512 8.161 1.00 25.56 O ATOM 295 CB VAL X 39 -15.246 -0.576 8.330 1.00 24.71 C ATOM 296 CG1 VAL X 39 -16.086 -0.460 9.607 1.00 23.35 C ATOM 297 CG2 VAL X 39 -15.456 -1.982 7.690 1.00 26.04 C ATOM 0 H VAL X 39 -14.153 0.017 6.160 1.00 26.20 H new ATOM 0 HA VAL X 39 -16.536 0.362 7.030 1.00 26.05 H new ATOM 0 HB VAL X 39 -14.304 -0.481 8.541 1.00 24.71 H new ATOM 0 HG11 VAL X 39 -15.841 -1.169 10.222 1.00 23.35 H new ATOM 0 HG12 VAL X 39 -15.923 0.400 10.025 1.00 23.35 H new ATOM 0 HG13 VAL X 39 -17.027 -0.537 9.384 1.00 23.35 H new ATOM 0 HG21 VAL X 39 -15.202 -2.669 8.326 1.00 26.04 H new ATOM 0 HG22 VAL X 39 -16.390 -2.093 7.451 1.00 26.04 H new ATOM 0 HG23 VAL X 39 -14.908 -2.061 6.894 1.00 26.04 H new ATOM 298 N THR X 40 -14.542 2.417 8.486 1.00 24.81 N ATOM 299 CA THR X 40 -14.530 3.672 9.243 1.00 23.61 C ATOM 300 C THR X 40 -14.979 4.882 8.378 1.00 24.73 C ATOM 301 O THR X 40 -15.210 5.931 8.904 1.00 23.80 O ATOM 302 CB THR X 40 -13.156 3.975 9.914 1.00 24.14 C ATOM 303 OG1 THR X 40 -12.151 4.194 8.885 1.00 20.71 O ATOM 304 CG2 THR X 40 -12.705 2.823 10.908 1.00 21.19 C ATOM 0 H THR X 40 -13.770 2.059 8.359 1.00 24.81 H new ATOM 0 HA THR X 40 -15.177 3.543 9.954 1.00 23.61 H new ATOM 0 HB THR X 40 -13.254 4.779 10.448 1.00 24.14 H new ATOM 0 HG1 THR X 40 -11.960 3.462 8.519 1.00 20.71 H new ATOM 0 HG21 THR X 40 -11.848 3.052 11.302 1.00 21.19 H new ATOM 0 HG22 THR X 40 -13.367 2.724 11.610 1.00 21.19 H new ATOM 0 HG23 THR X 40 -12.624 1.988 10.421 1.00 21.19 H new ATOM 305 N SER X 41 -15.064 4.737 7.052 1.00 24.61 N ATOM 306 CA SER X 41 -15.409 5.868 6.184 1.00 27.72 C ATOM 307 C SER X 41 -16.816 5.817 5.638 1.00 28.42 C ATOM 308 O SER X 41 -17.351 6.863 5.228 1.00 29.30 O ATOM 309 CB SER X 41 -14.441 5.941 4.990 1.00 25.76 C ATOM 310 OG SER X 41 -13.172 6.329 5.474 1.00 28.88 O ATOM 0 H SER X 41 -14.926 3.996 6.637 1.00 24.61 H new ATOM 0 HA SER X 41 -15.339 6.653 6.750 1.00 27.72 H new ATOM 0 HB2 SER X 41 -14.385 5.080 4.547 1.00 25.76 H new ATOM 0 HB3 SER X 41 -14.762 6.578 4.333 1.00 25.76 H new ATOM 0 HG SER X 41 -12.700 5.646 5.602 1.00 28.88 H new ATOM 311 N PHE X 42 -17.417 4.620 5.626 1.00 30.79 N ATOM 312 CA PHE X 42 -18.731 4.417 4.995 1.00 32.78 C ATOM 313 C PHE X 42 -19.842 5.196 5.699 1.00 34.12 C ATOM 314 O PHE X 42 -20.068 5.054 6.920 1.00 32.69 O ATOM 315 CB PHE X 42 -19.082 2.928 4.829 1.00 33.22 C ATOM 316 CG PHE X 42 -20.556 2.661 4.563 1.00 35.61 C ATOM 317 CD1 PHE X 42 -21.059 2.677 3.255 1.00 36.51 C ATOM 318 CD2 PHE X 42 -21.447 2.402 5.630 1.00 36.63 C ATOM 319 CE1 PHE X 42 -22.413 2.433 3.002 1.00 36.33 C ATOM 320 CE2 PHE X 42 -22.809 2.164 5.388 1.00 39.45 C ATOM 321 CZ PHE X 42 -23.291 2.187 4.064 1.00 37.57 C ATOM 0 H PHE X 42 -17.080 3.911 5.978 1.00 30.79 H new ATOM 0 HA PHE X 42 -18.660 4.784 4.100 1.00 32.78 H new ATOM 0 HB2 PHE X 42 -18.560 2.563 4.097 1.00 33.22 H new ATOM 0 HB3 PHE X 42 -18.817 2.452 5.632 1.00 33.22 H new ATOM 0 HD1 PHE X 42 -20.484 2.852 2.545 1.00 36.51 H new ATOM 0 HD2 PHE X 42 -21.127 2.389 6.503 1.00 36.63 H new ATOM 0 HE1 PHE X 42 -22.730 2.434 2.128 1.00 36.33 H new ATOM 0 HE2 PHE X 42 -23.388 1.993 6.095 1.00 39.45 H new ATOM 0 HZ PHE X 42 -24.194 2.039 3.896 1.00 37.57 H new ATOM 322 N VAL X 43 -20.521 6.027 4.914 1.00 34.87 N ATOM 323 CA VAL X 43 -21.599 6.833 5.406 1.00 37.60 C ATOM 324 C VAL X 43 -22.728 6.583 4.401 1.00 39.94 C ATOM 325 O VAL X 43 -22.580 6.985 3.252 1.00 39.89 O ATOM 326 CB VAL X 43 -21.173 8.315 5.404 1.00 37.38 C ATOM 327 CG1 VAL X 43 -22.348 9.195 5.499 1.00 37.86 C ATOM 328 CG2 VAL X 43 -20.244 8.611 6.568 1.00 36.70 C ATOM 0 H VAL X 43 -20.358 6.131 4.076 1.00 34.87 H new ATOM 0 HA VAL X 43 -21.864 6.619 6.314 1.00 37.60 H new ATOM 0 HB VAL X 43 -20.709 8.483 4.569 1.00 37.38 H new ATOM 0 HG11 VAL X 43 -22.060 10.121 5.496 1.00 37.86 H new ATOM 0 HG12 VAL X 43 -22.933 9.037 4.742 1.00 37.86 H new ATOM 0 HG13 VAL X 43 -22.827 9.008 6.322 1.00 37.86 H new ATOM 0 HG21 VAL X 43 -19.988 9.546 6.548 1.00 36.70 H new ATOM 0 HG22 VAL X 43 -20.699 8.418 7.403 1.00 36.70 H new ATOM 0 HG23 VAL X 43 -19.450 8.058 6.498 1.00 36.70 H new ATOM 329 N PRO X 44 -23.830 5.892 4.811 1.00 42.43 N ATOM 330 CA PRO X 44 -24.877 5.514 3.845 1.00 44.27 C ATOM 331 C PRO X 44 -25.208 6.661 2.881 1.00 45.61 C ATOM 332 O PRO X 44 -25.297 7.829 3.294 1.00 45.51 O ATOM 333 CB PRO X 44 -26.081 5.161 4.736 1.00 44.46 C ATOM 334 CG PRO X 44 -25.446 4.616 5.987 1.00 43.74 C ATOM 335 CD PRO X 44 -24.215 5.498 6.191 1.00 43.06 C ATOM 0 HA PRO X 44 -24.605 4.781 3.271 1.00 44.27 H new ATOM 0 HB2 PRO X 44 -26.627 5.940 4.923 1.00 44.46 H new ATOM 0 HB3 PRO X 44 -26.658 4.505 4.314 1.00 44.46 H new ATOM 0 HG2 PRO X 44 -26.050 4.669 6.744 1.00 43.74 H new ATOM 0 HG3 PRO X 44 -25.201 3.683 5.884 1.00 43.74 H new ATOM 0 HD2 PRO X 44 -24.418 6.272 6.739 1.00 43.06 H new ATOM 0 HD3 PRO X 44 -23.501 5.015 6.636 1.00 43.06 H new ATOM 336 N THR X 45 -25.354 6.298 1.608 1.00 47.00 N ATOM 337 CA THR X 45 -25.374 7.231 0.457 1.00 48.36 C ATOM 338 C THR X 45 -26.234 8.520 0.581 1.00 49.27 C ATOM 339 O THR X 45 -25.737 9.632 0.320 1.00 49.64 O ATOM 340 CB THR X 45 -25.779 6.467 -0.825 1.00 47.99 C ATOM 341 OG1 THR X 45 -27.084 5.907 -0.627 1.00 46.95 O ATOM 342 CG2 THR X 45 -24.768 5.337 -1.134 1.00 47.47 C ATOM 0 H THR X 45 -25.448 5.476 1.373 1.00 47.00 H new ATOM 0 HA THR X 45 -24.464 7.565 0.426 1.00 48.36 H new ATOM 0 HB THR X 45 -25.784 7.081 -1.576 1.00 47.99 H new ATOM 0 HG1 THR X 45 -27.318 5.490 -1.317 1.00 46.95 H new ATOM 0 HG21 THR X 45 -25.040 4.871 -1.940 1.00 47.47 H new ATOM 0 HG22 THR X 45 -23.886 5.718 -1.263 1.00 47.47 H new ATOM 0 HG23 THR X 45 -24.744 4.712 -0.392 1.00 47.47 H new ATOM 343 N PHE X 46 -27.499 8.378 0.984 1.00 50.78 N ATOM 344 CA PHE X 46 -28.374 9.545 1.117 1.00 52.44 C ATOM 345 C PHE X 46 -27.723 10.664 1.979 1.00 53.14 C ATOM 346 O PHE X 46 -27.875 11.863 1.707 1.00 53.03 O ATOM 347 CB PHE X 46 -29.758 9.157 1.660 1.00 52.89 C ATOM 348 CG PHE X 46 -30.652 10.355 1.936 1.00 54.49 C ATOM 349 CD1 PHE X 46 -31.515 10.836 0.951 1.00 56.35 C ATOM 350 CD2 PHE X 46 -30.595 11.023 3.165 1.00 55.46 C ATOM 351 CE1 PHE X 46 -32.325 11.955 1.188 1.00 57.76 C ATOM 352 CE2 PHE X 46 -31.396 12.143 3.416 1.00 56.87 C ATOM 353 CZ PHE X 46 -32.265 12.611 2.427 1.00 57.10 C ATOM 0 H PHE X 46 -27.865 7.626 1.183 1.00 50.78 H new ATOM 0 HA PHE X 46 -28.500 9.905 0.225 1.00 52.44 H new ATOM 0 HB2 PHE X 46 -30.197 8.574 1.022 1.00 52.89 H new ATOM 0 HB3 PHE X 46 -29.647 8.649 2.479 1.00 52.89 H new ATOM 0 HD1 PHE X 46 -31.553 10.408 0.126 1.00 56.35 H new ATOM 0 HD2 PHE X 46 -30.016 10.718 3.825 1.00 55.46 H new ATOM 0 HE1 PHE X 46 -32.901 12.262 0.526 1.00 57.76 H new ATOM 0 HE2 PHE X 46 -31.350 12.574 4.239 1.00 56.87 H new ATOM 0 HZ PHE X 46 -32.801 13.354 2.589 1.00 57.10 H new ATOM 354 N ASP X 47 -26.962 10.259 2.989 1.00 53.55 N ATOM 355 CA ASP X 47 -26.243 11.217 3.822 1.00 54.09 C ATOM 356 C ASP X 47 -24.736 11.149 3.578 1.00 53.88 C ATOM 357 O ASP X 47 -24.044 10.324 4.175 1.00 54.15 O ATOM 358 CB ASP X 47 -26.547 10.974 5.302 1.00 54.18 C ATOM 359 CG ASP X 47 -27.026 9.562 5.574 1.00 54.97 C ATOM 360 OD1 ASP X 47 -28.123 9.404 6.151 1.00 54.21 O ATOM 361 OD2 ASP X 47 -26.305 8.608 5.212 1.00 54.54 O ATOM 0 H ASP X 47 -26.848 9.435 3.209 1.00 53.55 H new ATOM 0 HA ASP X 47 -26.547 12.105 3.578 1.00 54.09 H new ATOM 0 HB2 ASP X 47 -25.749 11.148 5.825 1.00 54.18 H new ATOM 0 HB3 ASP X 47 -27.223 11.604 5.598 1.00 54.18 H new ATOM 362 N SER X 48 -24.238 12.026 2.711 1.00 53.34 N ATOM 363 CA SER X 48 -22.822 12.025 2.363 1.00 52.68 C ATOM 364 C SER X 48 -22.217 13.422 2.216 1.00 51.80 C ATOM 365 O SER X 48 -21.041 13.622 2.519 1.00 52.12 O ATOM 366 CB SER X 48 -22.591 11.222 1.080 1.00 52.95 C ATOM 367 OG SER X 48 -23.697 10.382 0.798 1.00 53.66 O ATOM 0 H SER X 48 -24.704 12.630 2.313 1.00 53.34 H new ATOM 0 HA SER X 48 -22.366 11.607 3.110 1.00 52.68 H new ATOM 0 HB2 SER X 48 -22.444 11.828 0.337 1.00 52.95 H new ATOM 0 HB3 SER X 48 -21.788 10.685 1.171 1.00 52.95 H new ATOM 0 HG SER X 48 -24.324 10.841 0.479 1.00 53.66 H new ATOM 368 N PHE X 49 -23.007 14.385 1.747 1.00 50.24 N ATOM 369 CA PHE X 49 -22.466 15.731 1.487 1.00 48.62 C ATOM 370 C PHE X 49 -22.017 16.282 2.809 1.00 47.14 C ATOM 371 O PHE X 49 -21.026 17.028 2.891 1.00 47.95 O ATOM 372 CB PHE X 49 -23.529 16.679 0.921 1.00 49.03 C ATOM 373 CG PHE X 49 -24.048 16.269 -0.409 1.00 48.20 C ATOM 374 CD1 PHE X 49 -25.291 15.654 -0.514 1.00 47.41 C ATOM 375 CD2 PHE X 49 -23.278 16.469 -1.560 1.00 48.41 C ATOM 376 CE1 PHE X 49 -25.784 15.251 -1.752 1.00 48.16 C ATOM 377 CE2 PHE X 49 -23.754 16.077 -2.798 1.00 49.56 C ATOM 378 CZ PHE X 49 -25.012 15.457 -2.899 1.00 48.40 C ATOM 0 H PHE X 49 -23.844 14.289 1.574 1.00 50.24 H new ATOM 0 HA PHE X 49 -21.748 15.663 0.838 1.00 48.62 H new ATOM 0 HB2 PHE X 49 -24.269 16.732 1.546 1.00 49.03 H new ATOM 0 HB3 PHE X 49 -23.152 17.570 0.852 1.00 49.03 H new ATOM 0 HD1 PHE X 49 -25.799 15.510 0.252 1.00 47.41 H new ATOM 0 HD2 PHE X 49 -22.441 16.868 -1.492 1.00 48.41 H new ATOM 0 HE1 PHE X 49 -26.620 14.848 -1.815 1.00 48.16 H new ATOM 0 HE2 PHE X 49 -23.243 16.223 -3.561 1.00 49.56 H new ATOM 0 HZ PHE X 49 -25.330 15.184 -3.729 1.00 48.40 H new ATOM 379 N GLU X 50 -22.759 15.891 3.845 1.00 44.63 N ATOM 380 CA GLU X 50 -22.662 16.495 5.165 1.00 41.86 C ATOM 381 C GLU X 50 -22.240 15.505 6.277 1.00 39.46 C ATOM 382 O GLU X 50 -21.563 15.906 7.211 1.00 39.31 O ATOM 383 CB GLU X 50 -23.954 17.280 5.495 1.00 42.08 C ATOM 384 CG GLU X 50 -25.190 16.446 5.915 1.00 45.30 C ATOM 385 CD GLU X 50 -25.997 15.771 4.783 1.00 48.76 C ATOM 386 OE1 GLU X 50 -25.436 15.317 3.743 1.00 49.85 O ATOM 387 OE2 GLU X 50 -27.230 15.650 4.980 1.00 50.49 O ATOM 0 H GLU X 50 -23.340 15.258 3.796 1.00 44.63 H new ATOM 0 HA GLU X 50 -21.931 17.132 5.136 1.00 41.86 H new ATOM 0 HB2 GLU X 50 -23.754 17.905 6.209 1.00 42.08 H new ATOM 0 HB3 GLU X 50 -24.195 17.807 4.717 1.00 42.08 H new ATOM 0 HG2 GLU X 50 -24.894 15.755 6.528 1.00 45.30 H new ATOM 0 HG3 GLU X 50 -25.791 17.025 6.410 1.00 45.30 H new ATOM 388 N SER X 51 -22.581 14.220 6.136 1.00 36.21 N ATOM 389 CA SER X 51 -22.233 13.191 7.134 1.00 33.43 C ATOM 390 C SER X 51 -20.809 12.626 7.051 1.00 31.13 C ATOM 391 O SER X 51 -20.322 12.202 5.995 1.00 29.59 O ATOM 392 CB SER X 51 -23.260 12.065 7.176 1.00 32.36 C ATOM 393 OG SER X 51 -24.436 12.576 7.766 1.00 35.68 O ATOM 0 H SER X 51 -23.020 13.917 5.461 1.00 36.21 H new ATOM 0 HA SER X 51 -22.255 13.679 7.972 1.00 33.43 H new ATOM 0 HB2 SER X 51 -23.443 11.738 6.281 1.00 32.36 H new ATOM 0 HB3 SER X 51 -22.921 11.314 7.688 1.00 32.36 H new ATOM 0 HG SER X 51 -24.967 11.945 7.924 1.00 35.68 H new ATOM 394 N MET X 52 -20.143 12.659 8.197 1.00 29.05 N ATOM 395 CA MET X 52 -18.800 12.126 8.319 1.00 26.90 C ATOM 396 C MET X 52 -18.819 11.211 9.498 1.00 24.85 C ATOM 397 O MET X 52 -19.500 11.503 10.474 1.00 24.01 O ATOM 398 CB MET X 52 -17.790 13.252 8.575 1.00 26.80 C ATOM 399 CG MET X 52 -17.344 13.961 7.287 1.00 27.73 C ATOM 400 SD MET X 52 -16.018 15.106 7.652 1.00 34.96 S ATOM 401 CE MET X 52 -14.663 13.968 7.854 1.00 27.94 C ATOM 0 H MET X 52 -20.459 12.991 8.925 1.00 29.05 H new ATOM 0 HA MET X 52 -18.538 11.670 7.504 1.00 26.90 H new ATOM 0 HB2 MET X 52 -18.184 13.903 9.177 1.00 26.80 H new ATOM 0 HB3 MET X 52 -17.012 12.886 9.023 1.00 26.80 H new ATOM 0 HG2 MET X 52 -17.048 13.307 6.634 1.00 27.73 H new ATOM 0 HG3 MET X 52 -18.093 14.435 6.893 1.00 27.73 H new ATOM 0 HE1 MET X 52 -14.152 14.209 8.642 1.00 27.94 H new ATOM 0 HE2 MET X 52 -15.009 13.068 7.957 1.00 27.94 H new ATOM 0 HE3 MET X 52 -14.089 14.006 7.073 1.00 27.94 H new ATOM 402 N ASN X 53 -18.084 10.111 9.379 1.00 23.11 N ATOM 403 CA ASN X 53 -17.663 9.321 10.507 1.00 21.83 C ATOM 404 C ASN X 53 -16.538 9.955 11.334 1.00 21.33 C ATOM 405 O ASN X 53 -15.735 10.743 10.846 1.00 22.26 O ATOM 406 CB ASN X 53 -17.265 7.915 10.006 1.00 21.98 C ATOM 407 CG ASN X 53 -18.463 7.134 9.528 1.00 17.84 C ATOM 408 OD1 ASN X 53 -19.602 7.500 9.822 1.00 22.56 O ATOM 409 ND2 ASN X 53 -18.230 6.017 8.950 1.00 23.54 N ATOM 0 H ASN X 53 -17.815 9.804 8.622 1.00 23.11 H new ATOM 0 HA ASN X 53 -18.414 9.265 11.118 1.00 21.83 H new ATOM 0 HB2 ASN X 53 -16.623 7.998 9.283 1.00 21.98 H new ATOM 0 HB3 ASN X 53 -16.826 7.429 10.721 1.00 21.98 H new ATOM 0 HD21 ASN X 53 -18.881 5.491 8.753 1.00 23.54 H new ATOM 0 HD22 ASN X 53 -17.422 5.792 8.759 1.00 23.54 H new ATOM 410 N VAL X 54 -16.494 9.588 12.605 1.00 19.12 N ATOM 411 CA VAL X 54 -15.457 9.991 13.543 1.00 17.12 C ATOM 412 C VAL X 54 -14.517 8.792 13.834 1.00 17.95 C ATOM 413 O VAL X 54 -14.975 7.639 14.159 1.00 16.69 O ATOM 414 CB VAL X 54 -16.109 10.358 14.945 1.00 13.88 C ATOM 415 CG1 VAL X 54 -15.042 10.522 15.935 1.00 20.29 C ATOM 416 CG2 VAL X 54 -16.900 11.690 14.861 1.00 12.39 C ATOM 0 H VAL X 54 -17.089 9.078 12.959 1.00 19.12 H new ATOM 0 HA VAL X 54 -14.983 10.742 13.153 1.00 17.12 H new ATOM 0 HB VAL X 54 -16.716 9.644 15.196 1.00 13.88 H new ATOM 0 HG11 VAL X 54 -15.430 10.746 16.795 1.00 20.29 H new ATOM 0 HG12 VAL X 54 -14.542 9.694 16.012 1.00 20.29 H new ATOM 0 HG13 VAL X 54 -14.446 11.234 15.654 1.00 20.29 H new ATOM 0 HG21 VAL X 54 -17.287 11.892 15.727 1.00 12.39 H new ATOM 0 HG22 VAL X 54 -16.300 12.407 14.601 1.00 12.39 H new ATOM 0 HG23 VAL X 54 -17.607 11.606 14.203 1.00 12.39 H new ATOM 417 N VAL X 55 -13.219 9.077 13.798 1.00 17.00 N ATOM 418 CA VAL X 55 -12.233 8.132 14.375 1.00 19.38 C ATOM 419 C VAL X 55 -11.621 8.649 15.691 1.00 18.97 C ATOM 420 O VAL X 55 -11.082 9.788 15.761 1.00 20.71 O ATOM 421 CB VAL X 55 -11.235 7.561 13.342 1.00 20.57 C ATOM 422 CG1 VAL X 55 -11.996 6.742 12.349 1.00 19.61 C ATOM 423 CG2 VAL X 55 -10.418 8.665 12.680 1.00 21.18 C ATOM 0 H VAL X 55 -12.883 9.791 13.456 1.00 17.00 H new ATOM 0 HA VAL X 55 -12.728 7.341 14.641 1.00 19.38 H new ATOM 0 HB VAL X 55 -10.590 6.992 13.790 1.00 20.57 H new ATOM 0 HG11 VAL X 55 -11.382 6.376 11.693 1.00 19.61 H new ATOM 0 HG12 VAL X 55 -12.449 6.017 12.807 1.00 19.61 H new ATOM 0 HG13 VAL X 55 -12.651 7.301 11.902 1.00 19.61 H new ATOM 0 HG21 VAL X 55 -9.804 8.273 12.040 1.00 21.18 H new ATOM 0 HG22 VAL X 55 -11.014 9.279 12.223 1.00 21.18 H new ATOM 0 HG23 VAL X 55 -9.916 9.146 13.356 1.00 21.18 H new ATOM 424 N LEU X 56 -11.699 7.824 16.730 1.00 19.25 N ATOM 425 CA LEU X 56 -11.159 8.184 18.036 1.00 15.58 C ATOM 426 C LEU X 56 -10.005 7.267 18.426 1.00 15.46 C ATOM 427 O LEU X 56 -10.217 6.124 18.830 1.00 16.96 O ATOM 428 CB LEU X 56 -12.256 8.131 19.102 1.00 13.92 C ATOM 429 CG LEU X 56 -13.488 9.002 18.851 1.00 10.64 C ATOM 430 CD1 LEU X 56 -14.651 8.552 19.722 1.00 15.61 C ATOM 431 CD2 LEU X 56 -13.168 10.469 19.092 1.00 9.75 C ATOM 0 H LEU X 56 -12.063 7.046 16.699 1.00 19.25 H new ATOM 0 HA LEU X 56 -10.820 9.091 17.978 1.00 15.58 H new ATOM 0 HB2 LEU X 56 -12.548 7.210 19.193 1.00 13.92 H new ATOM 0 HB3 LEU X 56 -11.867 8.391 19.952 1.00 13.92 H new ATOM 0 HG LEU X 56 -13.749 8.899 17.922 1.00 10.64 H new ATOM 0 HD11 LEU X 56 -15.422 9.115 19.549 1.00 15.61 H new ATOM 0 HD12 LEU X 56 -14.872 7.630 19.516 1.00 15.61 H new ATOM 0 HD13 LEU X 56 -14.402 8.623 20.657 1.00 15.61 H new ATOM 0 HD21 LEU X 56 -13.960 11.004 18.928 1.00 9.75 H new ATOM 0 HD22 LEU X 56 -12.880 10.591 20.010 1.00 9.75 H new ATOM 0 HD23 LEU X 56 -12.459 10.749 18.492 1.00 9.75 H new ATOM 432 N MET X 57 -8.790 7.796 18.302 1.00 14.37 N ATOM 433 CA MET X 57 -7.578 7.038 18.581 1.00 16.03 C ATOM 434 C MET X 57 -6.633 7.753 19.547 1.00 19.87 C ATOM 435 O MET X 57 -6.429 8.965 19.471 1.00 23.73 O ATOM 436 CB MET X 57 -6.843 6.711 17.279 1.00 12.23 C ATOM 437 CG MET X 57 -5.666 7.626 16.984 1.00 5.14 C ATOM 438 SD MET X 57 -5.569 8.098 15.246 1.00 16.80 S ATOM 439 CE MET X 57 -6.762 9.432 15.191 1.00 20.42 C ATOM 0 H MET X 57 -8.647 8.607 18.053 1.00 14.37 H new ATOM 0 HA MET X 57 -7.860 6.218 19.016 1.00 16.03 H new ATOM 0 HB2 MET X 57 -6.526 5.795 17.319 1.00 12.23 H new ATOM 0 HB3 MET X 57 -7.472 6.761 16.542 1.00 12.23 H new ATOM 0 HG2 MET X 57 -5.738 8.425 17.529 1.00 5.14 H new ATOM 0 HG3 MET X 57 -4.843 7.181 17.241 1.00 5.14 H new ATOM 0 HE1 MET X 57 -6.811 9.786 14.289 1.00 20.42 H new ATOM 0 HE2 MET X 57 -7.634 9.098 15.454 1.00 20.42 H new ATOM 0 HE3 MET X 57 -6.489 10.136 15.800 1.00 20.42 H new ATOM 440 N GLY X 58 -6.062 6.967 20.451 1.00 23.16 N ATOM 441 CA GLY X 58 -5.090 7.401 21.415 1.00 21.28 C ATOM 442 C GLY X 58 -3.838 8.005 20.823 1.00 21.88 C ATOM 443 O GLY X 58 -3.620 7.867 19.636 1.00 20.10 O ATOM 0 H GLY X 58 -6.246 6.129 20.514 1.00 23.16 H new ATOM 0 HA2 GLY X 58 -5.503 8.054 22.001 1.00 21.28 H new ATOM 0 HA3 GLY X 58 -4.839 6.644 21.967 1.00 21.28 H new ATOM 444 N ARG X 59 -3.046 8.699 21.636 1.00 23.37 N ATOM 445 CA ARG X 59 -1.917 9.499 21.137 1.00 23.94 C ATOM 446 C ARG X 59 -0.831 8.625 20.518 1.00 23.73 C ATOM 447 O ARG X 59 -0.286 8.996 19.476 1.00 25.01 O ATOM 448 CB ARG X 59 -1.287 10.413 22.246 1.00 25.01 C ATOM 449 CG ARG X 59 -0.023 11.235 21.773 1.00 26.57 C ATOM 450 CD ARG X 59 0.585 12.183 22.875 1.00 32.27 C ATOM 451 NE ARG X 59 0.797 11.439 24.118 1.00 27.81 N ATOM 452 CZ ARG X 59 1.799 10.573 24.308 1.00 28.48 C ATOM 453 NH1 ARG X 59 1.874 9.894 25.426 1.00 24.01 N ATOM 454 NH2 ARG X 59 2.725 10.353 23.381 1.00 25.18 N ATOM 0 H ARG X 59 -3.143 8.723 22.490 1.00 23.37 H new ATOM 0 HA ARG X 59 -2.289 10.073 20.449 1.00 23.94 H new ATOM 0 HB2 ARG X 59 -1.963 11.033 22.561 1.00 25.01 H new ATOM 0 HB3 ARG X 59 -1.035 9.859 23.002 1.00 25.01 H new ATOM 0 HG2 ARG X 59 0.663 10.614 21.482 1.00 26.57 H new ATOM 0 HG3 ARG X 59 -0.268 11.769 21.001 1.00 26.57 H new ATOM 0 HD2 ARG X 59 1.426 12.554 22.564 1.00 32.27 H new ATOM 0 HD3 ARG X 59 -0.013 12.930 23.035 1.00 32.27 H new ATOM 0 HE ARG X 59 0.244 11.566 24.765 1.00 27.81 H new ATOM 0 HH11 ARG X 59 1.279 10.005 26.037 1.00 24.01 H new ATOM 0 HH12 ARG X 59 2.518 9.337 25.549 1.00 24.01 H new ATOM 0 HH21 ARG X 59 2.691 10.773 22.631 1.00 25.18 H new ATOM 0 HH22 ARG X 59 3.358 9.790 23.531 1.00 25.18 H new ATOM 455 N LYS X 60 -0.532 7.475 21.119 1.00 23.95 N ATOM 456 CA LYS X 60 0.512 6.598 20.604 1.00 25.01 C ATOM 457 C LYS X 60 0.077 6.111 19.221 1.00 24.15 C ATOM 458 O LYS X 60 0.855 6.190 18.272 1.00 24.10 O ATOM 459 CB LYS X 60 0.864 5.449 21.561 1.00 25.23 C ATOM 460 CG LYS X 60 1.721 5.853 22.791 1.00 27.98 C ATOM 461 CD LYS X 60 3.079 6.497 22.365 1.00 35.76 C ATOM 462 CE LYS X 60 3.951 6.934 23.582 1.00 40.08 C ATOM 463 NZ LYS X 60 5.234 7.686 23.207 1.00 40.56 N ATOM 0 H LYS X 60 -0.924 7.186 21.828 1.00 23.95 H new ATOM 0 HA LYS X 60 1.340 7.097 20.527 1.00 25.01 H new ATOM 0 HB2 LYS X 60 0.040 5.046 21.877 1.00 25.23 H new ATOM 0 HB3 LYS X 60 1.340 4.767 21.063 1.00 25.23 H new ATOM 0 HG2 LYS X 60 1.224 6.479 23.340 1.00 27.98 H new ATOM 0 HG3 LYS X 60 1.892 5.070 23.338 1.00 27.98 H new ATOM 0 HD2 LYS X 60 3.578 5.863 21.827 1.00 35.76 H new ATOM 0 HD3 LYS X 60 2.904 7.269 21.804 1.00 35.76 H new ATOM 0 HE2 LYS X 60 3.417 7.498 24.162 1.00 40.08 H new ATOM 0 HE3 LYS X 60 4.190 6.146 24.094 1.00 40.08 H new ATOM 0 HZ1 LYS X 60 5.678 7.903 23.947 1.00 40.56 H new ATOM 0 HZ2 LYS X 60 5.745 7.166 22.696 1.00 40.56 H new ATOM 0 HZ3 LYS X 60 5.024 8.426 22.760 1.00 40.56 H new ATOM 464 N THR X 61 -1.201 5.711 19.087 1.00 24.19 N ATOM 465 CA THR X 61 -1.764 5.368 17.749 1.00 23.91 C ATOM 466 C THR X 61 -1.679 6.515 16.732 1.00 25.56 C ATOM 467 O THR X 61 -1.324 6.294 15.525 1.00 24.05 O ATOM 468 CB THR X 61 -3.188 4.784 17.895 1.00 24.51 C ATOM 469 OG1 THR X 61 -3.139 3.641 18.779 1.00 23.23 O ATOM 470 CG2 THR X 61 -3.744 4.384 16.545 1.00 20.39 C ATOM 0 H THR X 61 -1.754 5.631 19.741 1.00 24.19 H new ATOM 0 HA THR X 61 -1.200 4.676 17.369 1.00 23.91 H new ATOM 0 HB THR X 61 -3.775 5.460 18.269 1.00 24.51 H new ATOM 0 HG1 THR X 61 -3.241 3.896 19.573 1.00 23.23 H new ATOM 0 HG21 THR X 61 -4.636 4.021 16.657 1.00 20.39 H new ATOM 0 HG22 THR X 61 -3.783 5.162 15.967 1.00 20.39 H new ATOM 0 HG23 THR X 61 -3.170 3.713 16.144 1.00 20.39 H new ATOM 471 N TRP X 62 -1.990 7.742 17.192 1.00 25.84 N ATOM 472 CA TRP X 62 -1.822 8.938 16.346 1.00 28.40 C ATOM 473 C TRP X 62 -0.344 9.067 15.883 1.00 28.69 C ATOM 474 O TRP X 62 -0.081 9.323 14.726 1.00 27.10 O ATOM 475 CB TRP X 62 -2.233 10.205 17.099 1.00 27.78 C ATOM 476 CG TRP X 62 -1.934 11.484 16.385 1.00 29.89 C ATOM 477 CD1 TRP X 62 -0.920 12.389 16.665 1.00 30.08 C ATOM 478 CD2 TRP X 62 -2.660 12.035 15.280 1.00 30.77 C ATOM 479 NE1 TRP X 62 -0.994 13.460 15.805 1.00 30.19 N ATOM 480 CE2 TRP X 62 -2.050 13.273 14.949 1.00 31.21 C ATOM 481 CE3 TRP X 62 -3.776 11.615 14.551 1.00 30.69 C ATOM 482 CZ2 TRP X 62 -2.519 14.083 13.908 1.00 31.82 C ATOM 483 CZ3 TRP X 62 -4.233 12.426 13.519 1.00 32.23 C ATOM 484 CH2 TRP X 62 -3.602 13.639 13.209 1.00 32.69 C ATOM 0 H TRP X 62 -2.295 7.900 17.980 1.00 25.84 H new ATOM 0 HA TRP X 62 -2.396 8.837 15.571 1.00 28.40 H new ATOM 0 HB2 TRP X 62 -3.185 10.165 17.279 1.00 27.78 H new ATOM 0 HB3 TRP X 62 -1.783 10.216 17.958 1.00 27.78 H new ATOM 0 HD1 TRP X 62 -0.284 12.286 17.336 1.00 30.08 H new ATOM 0 HE1 TRP X 62 -0.464 14.137 15.804 1.00 30.19 H new ATOM 0 HE3 TRP X 62 -4.202 10.813 14.751 1.00 30.69 H new ATOM 0 HZ2 TRP X 62 -2.108 14.891 13.702 1.00 31.82 H new ATOM 0 HZ3 TRP X 62 -4.973 12.158 13.024 1.00 32.23 H new ATOM 0 HH2 TRP X 62 -3.931 14.154 12.508 1.00 32.69 H new ATOM 485 N GLU X 63 0.580 8.842 16.812 1.00 30.76 N ATOM 486 CA GLU X 63 2.018 8.903 16.533 1.00 32.88 C ATOM 487 C GLU X 63 2.448 7.790 15.581 1.00 34.17 C ATOM 488 O GLU X 63 3.373 7.976 14.772 1.00 34.97 O ATOM 489 CB GLU X 63 2.799 8.838 17.842 1.00 32.72 C ATOM 490 CG GLU X 63 2.784 10.180 18.633 1.00 34.30 C ATOM 491 CD GLU X 63 3.521 10.083 19.975 1.00 37.34 C ATOM 492 OE1 GLU X 63 4.532 9.344 20.053 1.00 40.07 O ATOM 493 OE2 GLU X 63 3.091 10.728 20.962 1.00 36.76 O ATOM 0 H GLU X 63 0.392 8.648 17.628 1.00 30.76 H new ATOM 0 HA GLU X 63 2.212 9.746 16.093 1.00 32.88 H new ATOM 0 HB2 GLU X 63 2.427 8.137 18.399 1.00 32.72 H new ATOM 0 HB3 GLU X 63 3.718 8.592 17.652 1.00 32.72 H new ATOM 0 HG2 GLU X 63 3.193 10.874 18.093 1.00 34.30 H new ATOM 0 HG3 GLU X 63 1.865 10.448 18.791 1.00 34.30 H new ATOM 494 N SER X 64 1.766 6.648 15.650 1.00 34.82 N ATOM 495 CA SER X 64 2.039 5.550 14.722 1.00 36.56 C ATOM 496 C SER X 64 1.634 5.771 13.247 1.00 37.87 C ATOM 497 O SER X 64 2.234 5.163 12.344 1.00 36.87 O ATOM 498 CB SER X 64 1.456 4.242 15.225 1.00 36.42 C ATOM 499 OG SER X 64 1.883 3.195 14.378 1.00 38.49 O ATOM 0 H SER X 64 1.145 6.489 16.223 1.00 34.82 H new ATOM 0 HA SER X 64 3.008 5.513 14.709 1.00 36.56 H new ATOM 0 HB2 SER X 64 1.744 4.075 16.136 1.00 36.42 H new ATOM 0 HB3 SER X 64 0.487 4.289 15.238 1.00 36.42 H new ATOM 0 HG SER X 64 2.471 2.740 14.769 1.00 38.49 H new ATOM 500 N ILE X 65 0.618 6.594 12.983 1.00 39.22 N ATOM 501 CA ILE X 65 0.274 6.873 11.587 1.00 40.99 C ATOM 502 C ILE X 65 1.365 7.751 10.948 1.00 41.95 C ATOM 503 O ILE X 65 1.766 8.763 11.532 1.00 41.73 O ATOM 504 CB ILE X 65 -1.107 7.560 11.465 1.00 40.96 C ATOM 505 CG1 ILE X 65 -2.164 6.729 12.191 1.00 41.62 C ATOM 506 CG2 ILE X 65 -1.509 7.764 9.997 1.00 41.45 C ATOM 507 CD1 ILE X 65 -3.168 7.596 12.916 1.00 41.96 C ATOM 0 H ILE X 65 0.131 6.988 13.573 1.00 39.22 H new ATOM 0 HA ILE X 65 0.222 6.027 11.115 1.00 40.99 H new ATOM 0 HB ILE X 65 -1.045 8.436 11.877 1.00 40.96 H new ATOM 0 HG12 ILE X 65 -2.627 6.166 11.551 1.00 41.62 H new ATOM 0 HG13 ILE X 65 -1.730 6.139 12.826 1.00 41.62 H new ATOM 0 HG21 ILE X 65 -2.377 8.196 9.956 1.00 41.45 H new ATOM 0 HG22 ILE X 65 -0.850 8.322 9.555 1.00 41.45 H new ATOM 0 HG23 ILE X 65 -1.555 6.904 9.551 1.00 41.45 H new ATOM 0 HD11 ILE X 65 -3.820 7.033 13.362 1.00 41.96 H new ATOM 0 HD12 ILE X 65 -2.709 8.142 13.573 1.00 41.96 H new ATOM 0 HD13 ILE X 65 -3.620 8.170 12.278 1.00 41.96 H new ATOM 508 N PRO X 66 1.853 7.353 9.756 1.00 42.93 N ATOM 509 CA PRO X 66 2.805 8.143 8.984 1.00 43.80 C ATOM 510 C PRO X 66 2.312 9.561 8.856 1.00 44.93 C ATOM 511 O PRO X 66 1.089 9.792 8.712 1.00 45.27 O ATOM 512 CB PRO X 66 2.786 7.466 7.615 1.00 43.73 C ATOM 513 CG PRO X 66 2.564 6.041 7.941 1.00 43.61 C ATOM 514 CD PRO X 66 1.579 6.060 9.103 1.00 43.39 C ATOM 0 HA PRO X 66 3.687 8.182 9.386 1.00 43.80 H new ATOM 0 HB2 PRO X 66 2.079 7.818 7.052 1.00 43.73 H new ATOM 0 HB3 PRO X 66 3.621 7.598 7.139 1.00 43.73 H new ATOM 0 HG2 PRO X 66 2.204 5.558 7.181 1.00 43.61 H new ATOM 0 HG3 PRO X 66 3.393 5.603 8.189 1.00 43.61 H new ATOM 0 HD2 PRO X 66 0.661 6.001 8.795 1.00 43.39 H new ATOM 0 HD3 PRO X 66 1.724 5.315 9.708 1.00 43.39 H new ATOM 515 N LEU X 67 3.244 10.507 8.910 1.00 45.33 N ATOM 516 CA LEU X 67 2.864 11.895 8.997 1.00 46.12 C ATOM 517 C LEU X 67 1.975 12.305 7.819 1.00 46.48 C ATOM 518 O LEU X 67 1.077 13.133 7.982 1.00 46.24 O ATOM 519 CB LEU X 67 4.106 12.792 9.155 1.00 46.60 C ATOM 520 CG LEU X 67 4.538 13.043 10.610 1.00 46.97 C ATOM 521 CD1 LEU X 67 5.919 13.711 10.676 1.00 47.86 C ATOM 522 CD2 LEU X 67 3.498 13.870 11.369 1.00 47.27 C ATOM 0 H LEU X 67 4.091 10.361 8.897 1.00 45.33 H new ATOM 0 HA LEU X 67 2.327 12.019 9.795 1.00 46.12 H new ATOM 0 HB2 LEU X 67 4.846 12.386 8.676 1.00 46.60 H new ATOM 0 HB3 LEU X 67 3.929 13.646 8.731 1.00 46.60 H new ATOM 0 HG LEU X 67 4.603 12.178 11.043 1.00 46.97 H new ATOM 0 HD11 LEU X 67 6.164 13.857 11.603 1.00 47.86 H new ATOM 0 HD12 LEU X 67 6.577 13.137 10.254 1.00 47.86 H new ATOM 0 HD13 LEU X 67 5.889 14.563 10.212 1.00 47.86 H new ATOM 0 HD21 LEU X 67 3.799 14.011 12.280 1.00 47.27 H new ATOM 0 HD22 LEU X 67 3.384 14.728 10.931 1.00 47.27 H new ATOM 0 HD23 LEU X 67 2.651 13.397 11.378 1.00 47.27 H new ATOM 523 N GLN X 68 2.216 11.683 6.659 1.00 47.10 N ATOM 524 CA GLN X 68 1.477 11.935 5.413 1.00 47.35 C ATOM 525 C GLN X 68 -0.005 11.556 5.470 1.00 46.79 C ATOM 526 O GLN X 68 -0.850 12.230 4.865 1.00 46.40 O ATOM 527 CB GLN X 68 2.144 11.206 4.230 1.00 47.77 C ATOM 528 CG GLN X 68 2.308 9.690 4.421 1.00 50.77 C ATOM 529 CD GLN X 68 3.055 9.001 3.283 1.00 55.05 C ATOM 530 OE1 GLN X 68 4.226 8.643 3.435 1.00 56.43 O ATOM 531 NE2 GLN X 68 2.379 8.807 2.133 1.00 56.75 N ATOM 0 H GLN X 68 2.830 11.087 6.573 1.00 47.10 H new ATOM 0 HA GLN X 68 1.512 12.896 5.287 1.00 47.35 H new ATOM 0 HB2 GLN X 68 1.618 11.364 3.430 1.00 47.77 H new ATOM 0 HB3 GLN X 68 3.018 11.597 4.076 1.00 47.77 H new ATOM 0 HG2 GLN X 68 2.781 9.527 5.252 1.00 50.77 H new ATOM 0 HG3 GLN X 68 1.430 9.287 4.510 1.00 50.77 H new ATOM 0 HE21 GLN X 68 1.563 9.070 2.064 1.00 56.75 H new ATOM 0 HE22 GLN X 68 2.764 8.420 1.468 1.00 56.75 H new ATOM 532 N ASN X 69 -0.303 10.471 6.184 1.00 46.44 N ATOM 533 CA ASN X 69 -1.668 9.924 6.290 1.00 45.81 C ATOM 534 C ASN X 69 -2.500 10.446 7.493 1.00 44.87 C ATOM 535 O ASN X 69 -3.516 9.856 7.861 1.00 44.61 O ATOM 536 CB ASN X 69 -1.596 8.393 6.291 1.00 46.47 C ATOM 537 CG ASN X 69 -0.831 7.834 5.090 1.00 47.63 C ATOM 538 OD1 ASN X 69 -0.998 8.289 3.957 1.00 47.52 O ATOM 539 ND2 ASN X 69 0.012 6.832 5.341 1.00 48.83 N ATOM 0 H ASN X 69 0.283 10.024 6.627 1.00 46.44 H new ATOM 0 HA ASN X 69 -2.151 10.246 5.513 1.00 45.81 H new ATOM 0 HB2 ASN X 69 -1.169 8.094 7.109 1.00 46.47 H new ATOM 0 HB3 ASN X 69 -2.496 8.031 6.293 1.00 46.47 H new ATOM 0 HD21 ASN X 69 0.463 6.479 4.700 1.00 48.83 H new ATOM 0 HD22 ASN X 69 0.104 6.539 6.144 1.00 48.83 H new ATOM 540 N ARG X 70 -2.086 11.551 8.102 1.00 43.94 N ATOM 541 CA ARG X 70 -2.837 12.086 9.240 1.00 42.87 C ATOM 542 C ARG X 70 -3.108 13.578 9.085 1.00 42.56 C ATOM 543 O ARG X 70 -2.244 14.315 8.610 1.00 44.00 O ATOM 544 CB ARG X 70 -2.089 11.821 10.548 1.00 42.74 C ATOM 545 CG ARG X 70 -2.423 10.487 11.195 1.00 43.18 C ATOM 546 CD ARG X 70 -1.658 10.297 12.495 1.00 44.28 C ATOM 547 NE ARG X 70 -0.214 10.276 12.281 1.00 47.55 N ATOM 548 CZ ARG X 70 0.639 11.120 12.852 1.00 46.75 C ATOM 549 NH1 ARG X 70 1.937 11.027 12.600 1.00 46.73 N ATOM 550 NH2 ARG X 70 0.193 12.059 13.676 1.00 45.07 N ATOM 0 H ARG X 70 -1.387 12.001 7.880 1.00 43.94 H new ATOM 0 HA ARG X 70 -3.692 11.629 9.265 1.00 42.87 H new ATOM 0 HB2 ARG X 70 -1.135 11.856 10.377 1.00 42.74 H new ATOM 0 HB3 ARG X 70 -2.291 12.533 11.175 1.00 42.74 H new ATOM 0 HG2 ARG X 70 -3.376 10.439 11.368 1.00 43.18 H new ATOM 0 HG3 ARG X 70 -2.209 9.766 10.583 1.00 43.18 H new ATOM 0 HD2 ARG X 70 -1.883 11.013 13.109 1.00 44.28 H new ATOM 0 HD3 ARG X 70 -1.934 9.467 12.914 1.00 44.28 H new ATOM 0 HE ARG X 70 0.105 9.679 11.751 1.00 47.55 H new ATOM 0 HH11 ARG X 70 2.229 10.419 12.066 1.00 46.73 H new ATOM 0 HH12 ARG X 70 2.487 11.574 12.971 1.00 46.73 H new ATOM 0 HH21 ARG X 70 -0.649 12.122 13.841 1.00 45.07 H new ATOM 0 HH22 ARG X 70 0.746 12.605 14.045 1.00 45.07 H new ATOM 551 N PRO X 71 -4.295 14.036 9.484 1.00 41.43 N ATOM 552 CA PRO X 71 -5.358 13.214 10.044 1.00 40.02 C ATOM 553 C PRO X 71 -5.875 12.162 9.057 1.00 38.50 C ATOM 554 O PRO X 71 -5.716 12.307 7.824 1.00 38.01 O ATOM 555 CB PRO X 71 -6.476 14.238 10.348 1.00 40.53 C ATOM 556 CG PRO X 71 -6.065 15.511 9.654 1.00 40.61 C ATOM 557 CD PRO X 71 -4.576 15.473 9.673 1.00 41.09 C ATOM 0 HA PRO X 71 -5.052 12.713 10.816 1.00 40.02 H new ATOM 0 HB2 PRO X 71 -7.334 13.924 10.021 1.00 40.53 H new ATOM 0 HB3 PRO X 71 -6.570 14.377 11.303 1.00 40.53 H new ATOM 0 HG2 PRO X 71 -6.407 15.547 8.747 1.00 40.61 H new ATOM 0 HG3 PRO X 71 -6.406 16.293 10.116 1.00 40.61 H new ATOM 0 HD2 PRO X 71 -4.191 16.013 8.965 1.00 41.09 H new ATOM 0 HD3 PRO X 71 -4.216 15.805 10.510 1.00 41.09 H new ATOM 558 N LEU X 72 -6.493 11.110 9.598 1.00 36.34 N ATOM 559 CA LEU X 72 -7.081 10.073 8.743 1.00 34.34 C ATOM 560 C LEU X 72 -8.144 10.661 7.838 1.00 33.10 C ATOM 561 O LEU X 72 -9.135 11.205 8.312 1.00 31.90 O ATOM 562 CB LEU X 72 -7.658 8.936 9.588 1.00 34.49 C ATOM 563 CG LEU X 72 -6.725 7.933 10.307 1.00 34.54 C ATOM 564 CD1 LEU X 72 -7.579 6.803 10.814 1.00 31.80 C ATOM 565 CD2 LEU X 72 -5.635 7.364 9.404 1.00 31.65 C ATOM 0 H LEU X 72 -6.582 10.978 10.443 1.00 36.34 H new ATOM 0 HA LEU X 72 -6.377 9.708 8.185 1.00 34.34 H new ATOM 0 HB2 LEU X 72 -8.218 9.342 10.268 1.00 34.49 H new ATOM 0 HB3 LEU X 72 -8.242 8.419 9.011 1.00 34.49 H new ATOM 0 HG LEU X 72 -6.272 8.406 11.022 1.00 34.54 H new ATOM 0 HD11 LEU X 72 -7.021 6.155 11.271 1.00 31.80 H new ATOM 0 HD12 LEU X 72 -8.242 7.150 11.431 1.00 31.80 H new ATOM 0 HD13 LEU X 72 -8.025 6.374 10.067 1.00 31.80 H new ATOM 0 HD21 LEU X 72 -5.086 6.745 9.910 1.00 31.65 H new ATOM 0 HD22 LEU X 72 -6.043 6.898 8.658 1.00 31.65 H new ATOM 0 HD23 LEU X 72 -5.082 8.087 9.069 1.00 31.65 H new ATOM 566 N LYS X 73 -7.916 10.545 6.534 1.00 31.10 N ATOM 567 CA LYS X 73 -8.708 11.243 5.512 1.00 31.21 C ATOM 568 C LYS X 73 -10.192 10.899 5.478 1.00 29.43 C ATOM 569 O LYS X 73 -10.577 9.714 5.528 1.00 28.35 O ATOM 570 CB LYS X 73 -8.095 11.038 4.111 1.00 31.69 C ATOM 571 CG LYS X 73 -6.548 11.146 4.090 1.00 36.24 C ATOM 572 CD LYS X 73 -5.922 10.975 2.688 1.00 39.50 C ATOM 573 CE LYS X 73 -4.385 10.890 2.806 1.00 40.51 C ATOM 574 NZ LYS X 73 -3.664 11.583 1.687 1.00 43.31 N ATOM 0 H LYS X 73 -7.290 10.053 6.209 1.00 31.10 H new ATOM 0 HA LYS X 73 -8.666 12.176 5.775 1.00 31.21 H new ATOM 0 HB2 LYS X 73 -8.356 10.166 3.776 1.00 31.69 H new ATOM 0 HB3 LYS X 73 -8.466 11.697 3.504 1.00 31.69 H new ATOM 0 HG2 LYS X 73 -6.289 12.010 4.446 1.00 36.24 H new ATOM 0 HG3 LYS X 73 -6.178 10.473 4.683 1.00 36.24 H new ATOM 0 HD2 LYS X 73 -6.267 10.172 2.267 1.00 39.50 H new ATOM 0 HD3 LYS X 73 -6.170 11.722 2.121 1.00 39.50 H new ATOM 0 HE2 LYS X 73 -4.110 11.280 3.650 1.00 40.51 H new ATOM 0 HE3 LYS X 73 -4.119 9.957 2.825 1.00 40.51 H new ATOM 0 HZ1 LYS X 73 -2.786 11.503 1.805 1.00 43.31 H new ATOM 0 HZ2 LYS X 73 -3.894 11.213 0.911 1.00 43.31 H new ATOM 0 HZ3 LYS X 73 -3.885 12.445 1.680 1.00 43.31 H new ATOM 575 N GLY X 74 -11.027 11.940 5.389 1.00 28.02 N ATOM 576 CA GLY X 74 -12.484 11.747 5.220 1.00 27.88 C ATOM 577 C GLY X 74 -13.214 11.362 6.499 1.00 27.62 C ATOM 578 O GLY X 74 -14.388 10.987 6.482 1.00 27.02 O ATOM 0 H GLY X 74 -10.777 12.762 5.423 1.00 28.02 H new ATOM 0 HA2 GLY X 74 -12.871 12.566 4.873 1.00 27.88 H new ATOM 0 HA3 GLY X 74 -12.634 11.058 4.554 1.00 27.88 H new ATOM 579 N ARG X 75 -12.485 11.439 7.614 1.00 27.94 N ATOM 580 CA ARG X 75 -13.044 11.178 8.943 1.00 26.91 C ATOM 581 C ARG X 75 -12.659 12.327 9.850 1.00 27.92 C ATOM 582 O ARG X 75 -11.570 12.924 9.699 1.00 28.43 O ATOM 583 CB ARG X 75 -12.543 9.833 9.492 1.00 25.89 C ATOM 584 CG ARG X 75 -13.145 8.637 8.715 1.00 27.75 C ATOM 585 CD ARG X 75 -12.164 7.444 8.559 1.00 29.15 C ATOM 586 NE ARG X 75 -11.032 7.770 7.708 1.00 25.11 N ATOM 587 CZ ARG X 75 -10.085 6.923 7.329 1.00 27.53 C ATOM 588 NH1 ARG X 75 -10.068 5.659 7.755 1.00 26.55 N ATOM 589 NH2 ARG X 75 -9.120 7.367 6.545 1.00 25.38 N ATOM 0 H ARG X 75 -11.650 11.645 7.621 1.00 27.94 H new ATOM 0 HA ARG X 75 -14.011 11.116 8.893 1.00 26.91 H new ATOM 0 HB2 ARG X 75 -11.575 9.801 9.437 1.00 25.89 H new ATOM 0 HB3 ARG X 75 -12.776 9.759 10.431 1.00 25.89 H new ATOM 0 HG2 ARG X 75 -13.944 8.332 9.173 1.00 27.75 H new ATOM 0 HG3 ARG X 75 -13.420 8.938 7.835 1.00 27.75 H new ATOM 0 HD2 ARG X 75 -11.842 7.176 9.434 1.00 29.15 H new ATOM 0 HD3 ARG X 75 -12.638 6.684 8.186 1.00 29.15 H new ATOM 0 HE ARG X 75 -10.971 8.580 7.427 1.00 25.11 H new ATOM 0 HH11 ARG X 75 -10.681 5.377 8.288 1.00 26.55 H new ATOM 0 HH12 ARG X 75 -9.444 5.126 7.496 1.00 26.55 H new ATOM 0 HH21 ARG X 75 -9.116 8.189 6.292 1.00 25.38 H new ATOM 0 HH22 ARG X 75 -8.496 6.834 6.287 1.00 25.38 H new ATOM 590 N ILE X 76 -13.561 12.659 10.762 1.00 27.15 N ATOM 591 CA ILE X 76 -13.265 13.557 11.856 1.00 27.09 C ATOM 592 C ILE X 76 -12.317 12.770 12.772 1.00 26.89 C ATOM 593 O ILE X 76 -12.688 11.719 13.336 1.00 27.26 O ATOM 594 CB ILE X 76 -14.555 13.978 12.589 1.00 27.13 C ATOM 595 CG1 ILE X 76 -15.576 14.576 11.577 1.00 27.50 C ATOM 596 CG2 ILE X 76 -14.245 14.919 13.726 1.00 24.53 C ATOM 597 CD1 ILE X 76 -16.971 14.837 12.194 1.00 26.62 C ATOM 0 H ILE X 76 -14.369 12.364 10.760 1.00 27.15 H new ATOM 0 HA ILE X 76 -12.858 14.384 11.553 1.00 27.09 H new ATOM 0 HB ILE X 76 -14.967 13.194 12.985 1.00 27.13 H new ATOM 0 HG12 ILE X 76 -15.224 15.409 11.226 1.00 27.50 H new ATOM 0 HG13 ILE X 76 -15.670 13.969 10.826 1.00 27.50 H new ATOM 0 HG21 ILE X 76 -15.069 15.170 14.172 1.00 24.53 H new ATOM 0 HG22 ILE X 76 -13.656 14.479 14.359 1.00 24.53 H new ATOM 0 HG23 ILE X 76 -13.810 15.714 13.379 1.00 24.53 H new ATOM 0 HD11 ILE X 76 -17.560 15.208 11.518 1.00 26.62 H new ATOM 0 HD12 ILE X 76 -17.341 14.003 12.522 1.00 26.62 H new ATOM 0 HD13 ILE X 76 -16.888 15.465 12.929 1.00 26.62 H new ATOM 598 N ASN X 77 -11.084 13.263 12.888 1.00 25.42 N ATOM 599 CA ASN X 77 -10.083 12.598 13.699 1.00 24.70 C ATOM 600 C ASN X 77 -10.152 13.291 15.028 1.00 22.70 C ATOM 601 O ASN X 77 -10.298 14.550 15.077 1.00 23.44 O ATOM 602 CB ASN X 77 -8.671 12.834 13.147 1.00 24.81 C ATOM 603 CG ASN X 77 -8.280 11.856 12.079 1.00 21.83 C ATOM 604 OD1 ASN X 77 -7.189 11.255 12.128 1.00 20.50 O ATOM 605 ND2 ASN X 77 -9.157 11.669 11.112 1.00 23.03 N ATOM 0 H ASN X 77 -10.813 13.982 12.502 1.00 25.42 H new ATOM 0 HA ASN X 77 -10.247 11.642 13.729 1.00 24.70 H new ATOM 0 HB2 ASN X 77 -8.617 13.734 12.788 1.00 24.81 H new ATOM 0 HB3 ASN X 77 -8.033 12.780 13.875 1.00 24.81 H new ATOM 0 HD21 ASN X 77 -8.987 11.112 10.479 1.00 23.03 H new ATOM 0 HD22 ASN X 77 -9.899 12.104 11.115 1.00 23.03 H new ATOM 606 N VAL X 78 -10.060 12.496 16.097 1.00 24.00 N ATOM 607 CA VAL X 78 -9.984 13.002 17.462 1.00 22.56 C ATOM 608 C VAL X 78 -8.940 12.157 18.237 1.00 23.11 C ATOM 609 O VAL X 78 -9.031 10.925 18.249 1.00 23.14 O ATOM 610 CB VAL X 78 -11.365 12.930 18.229 1.00 22.07 C ATOM 611 CG1 VAL X 78 -11.165 13.303 19.638 1.00 23.29 C ATOM 612 CG2 VAL X 78 -12.434 13.852 17.637 1.00 23.15 C ATOM 0 H VAL X 78 -10.040 11.638 16.045 1.00 24.00 H new ATOM 0 HA VAL X 78 -9.732 13.938 17.414 1.00 22.56 H new ATOM 0 HB VAL X 78 -11.680 12.017 18.142 1.00 22.07 H new ATOM 0 HG11 VAL X 78 -12.012 13.259 20.108 1.00 23.29 H new ATOM 0 HG12 VAL X 78 -10.535 12.690 20.049 1.00 23.29 H new ATOM 0 HG13 VAL X 78 -10.815 14.206 19.687 1.00 23.29 H new ATOM 0 HG21 VAL X 78 -13.255 13.765 18.146 1.00 23.15 H new ATOM 0 HG22 VAL X 78 -12.126 14.771 17.675 1.00 23.15 H new ATOM 0 HG23 VAL X 78 -12.599 13.605 16.714 1.00 23.15 H new ATOM 613 N VAL X 79 -7.949 12.801 18.870 1.00 21.28 N ATOM 614 CA VAL X 79 -6.865 12.084 19.495 1.00 20.28 C ATOM 615 C VAL X 79 -7.043 12.267 20.936 1.00 19.89 C ATOM 616 O VAL X 79 -7.071 13.394 21.422 1.00 21.49 O ATOM 617 CB VAL X 79 -5.494 12.686 19.240 1.00 21.28 C ATOM 618 CG1 VAL X 79 -4.383 11.890 20.011 1.00 20.01 C ATOM 619 CG2 VAL X 79 -5.213 12.669 17.752 1.00 21.22 C ATOM 0 H VAL X 79 -7.899 13.657 18.941 1.00 21.28 H new ATOM 0 HA VAL X 79 -6.891 11.177 19.153 1.00 20.28 H new ATOM 0 HB VAL X 79 -5.485 13.601 19.563 1.00 21.28 H new ATOM 0 HG11 VAL X 79 -3.517 12.290 19.835 1.00 20.01 H new ATOM 0 HG12 VAL X 79 -4.565 11.920 20.963 1.00 20.01 H new ATOM 0 HG13 VAL X 79 -4.379 10.967 19.712 1.00 20.01 H new ATOM 0 HG21 VAL X 79 -4.338 13.053 17.583 1.00 21.22 H new ATOM 0 HG22 VAL X 79 -5.232 11.754 17.429 1.00 21.22 H new ATOM 0 HG23 VAL X 79 -5.888 13.189 17.289 1.00 21.22 H new ATOM 620 N ILE X 80 -6.984 11.149 21.592 1.00 18.10 N ATOM 621 CA ILE X 80 -7.260 11.074 23.033 1.00 16.89 C ATOM 622 C ILE X 80 -5.926 11.183 23.840 1.00 20.98 C ATOM 623 O ILE X 80 -4.954 10.393 23.648 1.00 20.77 O ATOM 624 CB ILE X 80 -8.006 9.767 23.319 1.00 17.04 C ATOM 625 CG1 ILE X 80 -9.290 9.575 22.486 1.00 12.99 C ATOM 626 CG2 ILE X 80 -8.475 9.761 24.847 1.00 13.81 C ATOM 627 CD1 ILE X 80 -10.227 10.849 22.493 1.00 14.45 C ATOM 0 H ILE X 80 -6.783 10.394 21.232 1.00 18.10 H new ATOM 0 HA ILE X 80 -7.820 11.814 23.314 1.00 16.89 H new ATOM 0 HB ILE X 80 -7.382 9.059 23.095 1.00 17.04 H new ATOM 0 HG12 ILE X 80 -9.047 9.363 21.571 1.00 12.99 H new ATOM 0 HG13 ILE X 80 -9.783 8.815 22.832 1.00 12.99 H new ATOM 0 HG21 ILE X 80 -8.949 8.936 25.037 1.00 13.81 H new ATOM 0 HG22 ILE X 80 -7.698 9.828 25.424 1.00 13.81 H new ATOM 0 HG23 ILE X 80 -9.063 10.515 25.008 1.00 13.81 H new ATOM 0 HD11 ILE X 80 -11.016 10.674 21.956 1.00 14.45 H new ATOM 0 HD12 ILE X 80 -10.494 11.050 23.404 1.00 14.45 H new ATOM 0 HD13 ILE X 80 -9.747 11.606 22.123 1.00 14.45 H new ATOM 628 N THR X 81 -5.855 12.142 24.753 1.00 24.16 N ATOM 629 CA THR X 81 -4.640 12.325 25.591 1.00 26.24 C ATOM 630 C THR X 81 -4.989 13.006 26.931 1.00 27.57 C ATOM 631 O THR X 81 -5.750 13.968 26.955 1.00 28.19 O ATOM 632 CB THR X 81 -3.483 13.059 24.816 1.00 28.00 C ATOM 633 OG1 THR X 81 -2.472 13.520 25.745 1.00 27.16 O ATOM 634 CG2 THR X 81 -3.986 14.249 23.938 1.00 29.25 C ATOM 0 H THR X 81 -6.487 12.702 24.914 1.00 24.16 H new ATOM 0 HA THR X 81 -4.294 11.444 25.802 1.00 26.24 H new ATOM 0 HB THR X 81 -3.101 12.406 24.208 1.00 28.00 H new ATOM 0 HG1 THR X 81 -1.771 13.069 25.643 1.00 27.16 H new ATOM 0 HG21 THR X 81 -3.232 14.660 23.487 1.00 29.25 H new ATOM 0 HG22 THR X 81 -4.617 13.921 23.278 1.00 29.25 H new ATOM 0 HG23 THR X 81 -4.422 14.906 24.503 1.00 29.25 H new ATOM 635 N ARG X 82 -4.431 12.496 28.034 1.00 29.68 N ATOM 636 CA ARG X 82 -4.683 13.043 29.391 1.00 30.54 C ATOM 637 C ARG X 82 -4.021 14.394 29.667 1.00 30.91 C ATOM 638 O ARG X 82 -4.333 15.039 30.687 1.00 31.45 O ATOM 639 CB ARG X 82 -4.295 12.054 30.475 1.00 31.02 C ATOM 640 CG ARG X 82 -5.440 11.171 30.885 1.00 34.35 C ATOM 641 CD ARG X 82 -5.008 10.173 31.938 1.00 40.12 C ATOM 642 NE ARG X 82 -3.886 9.349 31.489 1.00 44.07 N ATOM 643 CZ ARG X 82 -3.992 8.061 31.152 1.00 44.34 C ATOM 644 NH1 ARG X 82 -5.168 7.449 31.236 1.00 43.18 N ATOM 645 NH2 ARG X 82 -2.913 7.387 30.745 1.00 44.23 N ATOM 0 H ARG X 82 -3.895 11.824 28.025 1.00 29.68 H new ATOM 0 HA ARG X 82 -5.641 13.196 29.413 1.00 30.54 H new ATOM 0 HB2 ARG X 82 -3.562 11.503 30.158 1.00 31.02 H new ATOM 0 HB3 ARG X 82 -3.971 12.539 31.250 1.00 31.02 H new ATOM 0 HG2 ARG X 82 -6.165 11.716 31.229 1.00 34.35 H new ATOM 0 HG3 ARG X 82 -5.783 10.700 30.110 1.00 34.35 H new ATOM 0 HD2 ARG X 82 -4.757 10.646 32.746 1.00 40.12 H new ATOM 0 HD3 ARG X 82 -5.757 9.600 32.166 1.00 40.12 H new ATOM 0 HE ARG X 82 -3.110 9.717 31.439 1.00 44.07 H new ATOM 0 HH11 ARG X 82 -5.860 7.882 31.507 1.00 43.18 H new ATOM 0 HH12 ARG X 82 -5.238 6.620 31.019 1.00 43.18 H new ATOM 0 HH21 ARG X 82 -2.151 7.782 30.700 1.00 44.23 H new ATOM 0 HH22 ARG X 82 -2.981 6.558 30.528 1.00 44.23 H new ATOM 646 N ASN X 83 -3.149 14.814 28.783 1.00 31.31 N ATOM 647 CA ASN X 83 -2.656 16.164 28.728 1.00 32.71 C ATOM 648 C ASN X 83 -3.677 16.998 27.930 1.00 33.04 C ATOM 649 O ASN X 83 -4.663 16.484 27.504 1.00 34.07 O ATOM 650 CB ASN X 83 -1.280 16.170 28.032 1.00 32.55 C ATOM 651 CG ASN X 83 -0.144 15.755 28.964 1.00 35.33 C ATOM 652 OD1 ASN X 83 -0.321 15.654 30.161 1.00 37.33 O ATOM 653 ND2 ASN X 83 1.022 15.564 28.415 1.00 33.91 N ATOM 0 H ASN X 83 -2.816 14.303 28.177 1.00 31.31 H new ATOM 0 HA ASN X 83 -2.548 16.539 29.616 1.00 32.71 H new ATOM 0 HB2 ASN X 83 -1.304 15.569 27.271 1.00 32.55 H new ATOM 0 HB3 ASN X 83 -1.101 17.058 27.686 1.00 32.55 H new ATOM 0 HD21 ASN X 83 1.699 15.359 28.904 1.00 33.91 H new ATOM 0 HD22 ASN X 83 1.115 15.643 27.564 1.00 33.91 H new ATOM 654 N ALA X 84 -3.435 18.283 27.739 0.00 30.57 N ATOM 655 CA ALA X 84 -4.077 19.067 26.651 0.00 31.96 C ATOM 656 C ALA X 84 -3.042 19.178 25.541 0.00 33.02 C ATOM 657 O ALA X 84 -3.216 18.770 24.337 0.00 33.26 O ATOM 658 CB ALA X 84 -4.461 20.452 27.158 0.00 20.00 C ATOM 0 H ALA X 84 -2.896 18.741 28.228 0.00 30.57 H new ATOM 0 HA ALA X 84 -4.888 18.639 26.335 0.00 31.96 H new ATOM 0 HB1 ALA X 84 -4.879 20.955 26.441 0.00 20.00 H new ATOM 0 HB2 ALA X 84 -5.083 20.365 27.897 0.00 20.00 H new ATOM 0 HB3 ALA X 84 -3.666 20.919 27.459 0.00 20.00 H new ATOM 659 N ALA X 85 -1.929 19.750 26.009 0.00 34.42 N ATOM 660 CA ALA X 85 -0.538 19.485 25.596 0.00 35.29 C ATOM 661 C ALA X 85 -0.102 20.589 24.680 0.00 36.17 C ATOM 662 O ALA X 85 -0.316 21.750 24.965 0.00 36.48 O ATOM 663 CB ALA X 85 -0.424 18.133 24.898 0.00 20.00 C ATOM 0 H ALA X 85 -1.967 20.350 26.624 0.00 34.42 H new ATOM 0 HA ALA X 85 0.035 19.455 26.378 0.00 35.29 H new ATOM 0 HB1 ALA X 85 0.497 17.981 24.636 0.00 20.00 H new ATOM 0 HB2 ALA X 85 -0.708 17.431 25.504 0.00 20.00 H new ATOM 0 HB3 ALA X 85 -0.989 18.127 24.110 0.00 20.00 H new ATOM 664 N ALA X 86 0.561 20.177 23.604 0.00 37.25 N ATOM 665 CA ALA X 86 0.584 20.782 22.258 0.00 38.16 C ATOM 666 C ALA X 86 0.249 19.700 21.261 0.00 38.58 C ATOM 667 O ALA X 86 0.887 18.649 21.272 0.00 38.57 O ATOM 668 CB ALA X 86 1.979 21.358 21.909 0.00 20.00 C ATOM 0 H ALA X 86 1.055 19.474 23.638 0.00 37.25 H new ATOM 0 HA ALA X 86 -0.056 21.511 22.233 0.00 38.16 H new ATOM 0 HB1 ALA X 86 1.956 21.746 21.020 0.00 20.00 H new ATOM 0 HB2 ALA X 86 2.217 22.042 22.554 0.00 20.00 H new ATOM 0 HB3 ALA X 86 2.638 20.647 21.934 0.00 20.00 H new ATOM 669 N ALA X 87 -0.688 20.001 20.361 0.00 39.26 N ATOM 670 CA ALA X 87 -1.258 19.047 19.424 0.00 39.92 C ATOM 671 C ALA X 87 -0.913 19.452 17.994 0.00 39.94 C ATOM 672 O ALA X 87 -1.256 20.519 17.569 0.00 40.30 O ATOM 673 CB ALA X 87 -2.751 19.059 19.572 0.00 20.00 C ATOM 0 H ALA X 87 -1.016 20.792 20.280 0.00 39.26 H new ATOM 0 HA ALA X 87 -0.900 18.164 19.608 0.00 39.92 H new ATOM 0 HB1 ALA X 87 -3.143 18.425 18.951 0.00 20.00 H new ATOM 0 HB2 ALA X 87 -2.988 18.811 20.479 0.00 20.00 H new ATOM 0 HB3 ALA X 87 -3.088 19.948 19.382 0.00 20.00 H new ATOM 674 N ALA X 88 -0.372 18.552 17.199 0.00 40.30 N ATOM 675 CA ALA X 88 0.050 18.986 15.886 0.00 40.31 C ATOM 676 C ALA X 88 -1.197 18.908 15.057 0.00 40.58 C ATOM 677 O ALA X 88 -1.312 18.066 14.170 0.00 39.93 O ATOM 678 CB ALA X 88 1.084 18.031 15.341 0.00 20.00 C ATOM 0 H ALA X 88 -0.244 17.723 17.387 0.00 40.30 H new ATOM 0 HA ALA X 88 0.444 19.872 15.891 0.00 40.31 H new ATOM 0 HB1 ALA X 88 1.364 18.325 14.460 0.00 20.00 H new ATOM 0 HB2 ALA X 88 1.851 18.011 15.934 0.00 20.00 H new ATOM 0 HB3 ALA X 88 0.702 17.142 15.278 0.00 20.00 H new ATOM 679 N ALA X 89 -2.109 19.841 15.309 0.00 40.57 N ATOM 680 CA ALA X 89 -3.290 19.808 14.509 0.00 41.52 C ATOM 681 C ALA X 89 -3.489 21.016 13.615 0.00 41.99 C ATOM 682 O ALA X 89 -3.752 22.156 14.067 0.00 41.16 O ATOM 683 CB ALA X 89 -4.552 19.646 15.427 0.00 20.00 C ATOM 0 H ALA X 89 -2.059 20.460 15.904 0.00 40.57 H new ATOM 0 HA ALA X 89 -3.175 19.047 13.919 0.00 41.52 H new ATOM 0 HB1 ALA X 89 -5.351 19.624 14.878 0.00 20.00 H new ATOM 0 HB2 ALA X 89 -4.483 18.819 15.930 0.00 20.00 H new ATOM 0 HB3 ALA X 89 -4.603 20.394 16.042 0.00 20.00 H new ATOM 684 N ALA X 90 -3.495 20.785 12.314 0.00 42.90 N ATOM 685 CA ALA X 90 -4.018 21.797 11.418 0.00 43.61 C ATOM 686 C ALA X 90 -5.504 21.503 11.244 0.00 43.48 C ATOM 687 O ALA X 90 -5.977 21.365 10.115 0.00 43.87 O ATOM 688 CB ALA X 90 -3.300 21.750 10.080 0.00 20.00 C ATOM 0 H ALA X 90 -3.208 20.067 11.937 0.00 42.90 H new ATOM 0 HA ALA X 90 -3.882 22.686 11.781 0.00 43.61 H new ATOM 0 HB1 ALA X 90 -3.662 22.433 9.494 0.00 20.00 H new ATOM 0 HB2 ALA X 90 -2.353 21.910 10.215 0.00 20.00 H new ATOM 0 HB3 ALA X 90 -3.426 20.877 9.675 0.00 20.00 H new ATOM 689 N ALA X 91 -6.245 21.380 12.349 0.00 42.59 N ATOM 690 CA ALA X 91 -7.546 20.852 12.241 0.00 41.52 C ATOM 691 C ALA X 91 -7.997 20.015 13.378 0.00 39.87 C ATOM 692 O ALA X 91 -9.178 19.745 13.410 0.00 40.25 O ATOM 693 CB ALA X 91 -7.587 20.035 10.970 0.00 20.00 C ATOM 0 H ALA X 91 -5.996 21.599 13.142 0.00 42.59 H new ATOM 0 HA ALA X 91 -8.157 21.605 12.238 0.00 41.52 H new ATOM 0 HB1 ALA X 91 -8.472 19.652 10.859 0.00 20.00 H new ATOM 0 HB2 ALA X 91 -7.385 20.605 10.212 0.00 20.00 H new ATOM 0 HB3 ALA X 91 -6.931 19.322 11.022 0.00 20.00 H new ATOM 694 N ILE X 92 -7.050 19.593 14.267 1.00 32.84 N ATOM 695 CA ILE X 92 -7.013 18.278 14.986 1.00 31.25 C ATOM 696 C ILE X 92 -7.511 18.312 16.392 1.00 30.12 C ATOM 697 O ILE X 92 -6.770 18.727 17.266 1.00 30.62 O ATOM 698 CB ILE X 92 -5.609 17.631 15.190 1.00 32.20 C ATOM 699 CG1 ILE X 92 -4.821 17.353 13.917 1.00 32.14 C ATOM 700 CG2 ILE X 92 -5.721 16.288 15.881 1.00 33.36 C ATOM 701 CD1 ILE X 92 -5.570 16.654 12.828 1.00 32.46 C ATOM 0 H ILE X 92 -6.381 20.091 14.475 1.00 32.84 H new ATOM 0 HA ILE X 92 -7.573 17.777 14.373 1.00 31.25 H new ATOM 0 HB ILE X 92 -5.141 18.301 15.713 1.00 32.20 H new ATOM 0 HG12 ILE X 92 -4.492 18.197 13.570 1.00 32.14 H new ATOM 0 HG13 ILE X 92 -4.045 16.819 14.147 1.00 32.14 H new ATOM 0 HG21 ILE X 92 -4.836 15.908 15.995 1.00 33.36 H new ATOM 0 HG22 ILE X 92 -6.137 16.404 16.749 1.00 33.36 H new ATOM 0 HG23 ILE X 92 -6.262 15.690 15.341 1.00 33.36 H new ATOM 0 HD11 ILE X 92 -4.985 16.524 12.065 1.00 32.46 H new ATOM 0 HD12 ILE X 92 -5.879 15.792 13.149 1.00 32.46 H new ATOM 0 HD13 ILE X 92 -6.332 17.192 12.563 1.00 32.46 H new ATOM 702 N HIS X 93 -8.711 17.812 16.600 1.00 27.47 N ATOM 703 CA HIS X 93 -9.394 17.907 17.873 1.00 26.00 C ATOM 704 C HIS X 93 -8.708 17.298 18.982 1.00 25.28 C ATOM 705 O HIS X 93 -7.981 16.343 18.735 1.00 26.37 O ATOM 706 CB HIS X 93 -10.725 17.244 17.774 1.00 24.07 C ATOM 707 CG HIS X 93 -11.652 17.950 16.853 1.00 24.77 C ATOM 708 ND1 HIS X 93 -11.899 19.236 16.956 1.00 21.00 N ATOM 709 CD2 HIS X 93 -12.351 17.508 15.766 1.00 24.34 C ATOM 710 CE1 HIS X 93 -12.730 19.592 16.000 1.00 26.81 C ATOM 711 NE2 HIS X 93 -12.996 18.542 15.272 1.00 24.09 N ATOM 0 H HIS X 93 -9.162 17.400 15.995 1.00 27.47 H new ATOM 0 HA HIS X 93 -9.450 18.859 18.052 1.00 26.00 H new ATOM 0 HB2 HIS X 93 -10.605 16.331 17.469 1.00 24.07 H new ATOM 0 HB3 HIS X 93 -11.125 17.198 18.656 1.00 24.07 H new ATOM 0 HD1 HIS X 93 -11.570 19.761 17.553 1.00 21.00 H new ATOM 0 HD2 HIS X 93 -12.368 16.638 15.437 1.00 24.34 H new ATOM 0 HE1 HIS X 93 -13.070 20.447 15.866 1.00 26.81 H new ATOM 712 N SER X 94 -8.832 17.736 20.221 1.00 24.47 N ATOM 713 CA SER X 94 -8.055 17.029 21.243 1.00 26.12 C ATOM 714 C SER X 94 -8.874 16.773 22.486 1.00 25.47 C ATOM 715 O SER X 94 -9.532 17.695 22.970 1.00 24.03 O ATOM 716 CB SER X 94 -6.795 17.820 21.600 1.00 26.39 C ATOM 717 OG SER X 94 -5.894 17.031 22.357 1.00 30.00 O ATOM 0 H SER X 94 -9.321 18.392 20.488 1.00 24.47 H new ATOM 0 HA SER X 94 -7.798 16.171 20.872 1.00 26.12 H new ATOM 0 HB2 SER X 94 -6.360 18.124 20.788 1.00 26.39 H new ATOM 0 HB3 SER X 94 -7.039 18.612 22.105 1.00 26.39 H new ATOM 0 HG SER X 94 -5.211 17.484 22.540 1.00 30.00 H new ATOM 718 N ALA X 95 -8.866 15.558 23.039 1.00 25.64 N ATOM 719 CA ALA X 95 -9.674 15.481 24.248 1.00 25.84 C ATOM 720 C ALA X 95 -9.042 14.549 25.271 1.00 26.62 C ATOM 721 O ALA X 95 -8.241 13.665 24.933 1.00 25.50 O ATOM 722 CB ALA X 95 -11.090 15.031 23.908 1.00 26.35 C ATOM 0 H ALA X 95 -8.456 14.851 22.772 1.00 25.64 H new ATOM 0 HA ALA X 95 -9.717 16.366 24.642 1.00 25.84 H new ATOM 0 HB1 ALA X 95 -11.618 14.983 24.720 1.00 26.35 H new ATOM 0 HB2 ALA X 95 -11.494 15.667 23.297 1.00 26.35 H new ATOM 0 HB3 ALA X 95 -11.060 14.156 23.490 1.00 26.35 H new ATOM 723 N LYS X 96 -9.440 14.712 26.524 1.00 27.49 N ATOM 724 CA LYS X 96 -8.801 13.971 27.614 1.00 29.63 C ATOM 725 C LYS X 96 -9.469 12.661 28.014 1.00 28.74 C ATOM 726 O LYS X 96 -8.981 11.946 28.888 1.00 29.59 O ATOM 727 CB LYS X 96 -8.595 14.866 28.848 1.00 30.36 C ATOM 728 CG LYS X 96 -9.844 15.314 29.526 1.00 32.53 C ATOM 729 CD LYS X 96 -9.698 15.183 31.062 1.00 37.08 C ATOM 730 CE LYS X 96 -9.012 16.380 31.672 1.00 34.33 C ATOM 731 NZ LYS X 96 -9.844 17.583 31.529 1.00 38.33 N ATOM 0 H LYS X 96 -10.072 15.241 26.768 1.00 27.49 H new ATOM 0 HA LYS X 96 -7.944 13.707 27.243 1.00 29.63 H new ATOM 0 HB2 LYS X 96 -8.050 14.385 29.491 1.00 30.36 H new ATOM 0 HB3 LYS X 96 -8.091 15.650 28.580 1.00 30.36 H new ATOM 0 HG2 LYS X 96 -10.035 16.235 29.290 1.00 32.53 H new ATOM 0 HG3 LYS X 96 -10.595 14.782 29.220 1.00 32.53 H new ATOM 0 HD2 LYS X 96 -10.576 15.077 31.461 1.00 37.08 H new ATOM 0 HD3 LYS X 96 -9.193 14.382 31.270 1.00 37.08 H new ATOM 0 HE2 LYS X 96 -8.835 16.213 32.611 1.00 34.33 H new ATOM 0 HE3 LYS X 96 -8.154 16.521 31.242 1.00 34.33 H new ATOM 0 HZ1 LYS X 96 -9.605 18.184 32.141 1.00 38.33 H new ATOM 0 HZ2 LYS X 96 -9.731 17.927 30.716 1.00 38.33 H new ATOM 0 HZ3 LYS X 96 -10.700 17.368 31.644 1.00 38.33 H new ATOM 732 N SER X 97 -10.572 12.333 27.351 1.00 28.05 N ATOM 733 CA SER X 97 -11.279 11.087 27.601 1.00 25.12 C ATOM 734 C SER X 97 -12.202 10.787 26.446 1.00 23.88 C ATOM 735 O SER X 97 -12.555 11.674 25.698 1.00 23.58 O ATOM 736 CB SER X 97 -12.172 11.243 28.832 1.00 25.80 C ATOM 737 OG SER X 97 -13.424 11.789 28.416 1.00 27.72 O ATOM 0 H SER X 97 -10.930 12.827 26.745 1.00 28.05 H new ATOM 0 HA SER X 97 -10.622 10.384 27.723 1.00 25.12 H new ATOM 0 HB2 SER X 97 -12.305 10.384 29.263 1.00 25.80 H new ATOM 0 HB3 SER X 97 -11.750 11.825 29.483 1.00 25.80 H new ATOM 0 HG SER X 97 -13.533 12.543 28.770 1.00 27.72 H new ATOM 738 N LEU X 98 -12.666 9.549 26.346 1.00 23.08 N ATOM 739 CA LEU X 98 -13.689 9.228 25.357 1.00 21.85 C ATOM 740 C LEU X 98 -14.966 10.164 25.467 1.00 20.95 C ATOM 741 O LEU X 98 -15.531 10.657 24.491 1.00 16.76 O ATOM 742 CB LEU X 98 -14.006 7.720 25.490 1.00 23.48 C ATOM 743 CG LEU X 98 -14.161 6.731 24.327 1.00 27.36 C ATOM 744 CD1 LEU X 98 -13.190 6.891 23.211 1.00 26.11 C ATOM 745 CD2 LEU X 98 -14.052 5.317 24.922 1.00 30.11 C ATOM 0 H LEU X 98 -12.408 8.888 26.832 1.00 23.08 H new ATOM 0 HA LEU X 98 -13.358 9.405 24.463 1.00 21.85 H new ATOM 0 HB2 LEU X 98 -13.309 7.353 26.056 1.00 23.48 H new ATOM 0 HB3 LEU X 98 -14.835 7.669 25.991 1.00 23.48 H new ATOM 0 HG LEU X 98 -15.022 6.906 23.915 1.00 27.36 H new ATOM 0 HD11 LEU X 98 -13.368 6.225 22.529 1.00 26.11 H new ATOM 0 HD12 LEU X 98 -13.280 7.778 22.828 1.00 26.11 H new ATOM 0 HD13 LEU X 98 -12.288 6.775 23.548 1.00 26.11 H new ATOM 0 HD21 LEU X 98 -14.145 4.660 24.215 1.00 30.11 H new ATOM 0 HD22 LEU X 98 -13.187 5.211 25.349 1.00 30.11 H new ATOM 0 HD23 LEU X 98 -14.754 5.187 25.578 1.00 30.11 H new ATOM 746 N ASP X 99 -15.443 10.417 26.668 1.00 16.49 N ATOM 747 CA ASP X 99 -16.597 11.255 26.828 1.00 16.90 C ATOM 748 C ASP X 99 -16.323 12.731 26.548 1.00 17.45 C ATOM 749 O ASP X 99 -17.241 13.482 26.107 1.00 17.48 O ATOM 750 CB ASP X 99 -17.134 11.081 28.284 1.00 17.47 C ATOM 751 CG ASP X 99 -17.811 9.729 28.467 1.00 21.48 C ATOM 752 OD1 ASP X 99 -18.702 9.453 27.661 1.00 18.89 O ATOM 753 OD2 ASP X 99 -17.461 8.968 29.418 1.00 28.08 O ATOM 0 H ASP X 99 -15.111 10.112 27.400 1.00 16.49 H new ATOM 0 HA ASP X 99 -17.255 10.976 26.172 1.00 16.90 H new ATOM 0 HB2 ASP X 99 -16.401 11.166 28.913 1.00 17.47 H new ATOM 0 HB3 ASP X 99 -17.764 11.790 28.485 1.00 17.47 H new ATOM 754 N HIS X 100 -15.067 13.138 26.739 1.00 18.91 N ATOM 755 CA HIS X 100 -14.727 14.514 26.603 1.00 18.83 C ATOM 756 C HIS X 100 -14.681 14.658 25.119 1.00 18.47 C ATOM 757 O HIS X 100 -15.155 15.646 24.631 1.00 18.70 O ATOM 758 CB HIS X 100 -13.374 14.885 27.185 1.00 20.07 C ATOM 759 CG HIS X 100 -13.432 15.198 28.654 1.00 18.71 C ATOM 760 ND1 HIS X 100 -13.195 14.424 29.737 1.00 24.84 N flip ATOM 761 CD2 HIS X 100 -13.785 16.441 29.133 1.00 22.78 C flip ATOM 762 CE1 HIS X 100 -13.362 15.218 30.841 1.00 19.01 C flip ATOM 763 NE2 HIS X 100 -13.775 16.413 30.461 1.00 21.09 N flip ATOM 0 H HIS X 100 -14.412 12.621 26.947 1.00 18.91 H new ATOM 0 HA HIS X 100 -15.352 15.086 27.075 1.00 18.83 H new ATOM 0 HB2 HIS X 100 -12.754 14.154 27.040 1.00 20.07 H new ATOM 0 HB3 HIS X 100 -13.023 15.654 26.709 1.00 20.07 H new ATOM 0 HD2 HIS X 100 -13.996 17.181 28.610 1.00 22.78 H new ATOM 0 HE1 HIS X 100 -13.209 14.956 31.720 1.00 19.01 H new ATOM 0 HE2 HIS X 100 -13.998 17.060 30.982 1.00 21.09 H new ATOM 764 N ALA X 101 -14.233 13.618 24.437 1.00 19.12 N ATOM 765 CA ALA X 101 -14.255 13.655 22.962 1.00 19.06 C ATOM 766 C ALA X 101 -15.690 13.710 22.371 1.00 19.01 C ATOM 767 O ALA X 101 -15.978 14.531 21.526 1.00 19.69 O ATOM 768 CB ALA X 101 -13.434 12.515 22.382 1.00 18.58 C ATOM 0 H ALA X 101 -13.919 12.897 24.784 1.00 19.12 H new ATOM 0 HA ALA X 101 -13.839 14.489 22.694 1.00 19.06 H new ATOM 0 HB1 ALA X 101 -13.461 12.557 21.413 1.00 18.58 H new ATOM 0 HB2 ALA X 101 -12.515 12.592 22.683 1.00 18.58 H new ATOM 0 HB3 ALA X 101 -13.801 11.668 22.679 1.00 18.58 H new ATOM 769 N LEU X 102 -16.584 12.836 22.823 1.00 19.39 N ATOM 770 CA LEU X 102 -18.006 12.890 22.461 1.00 20.01 C ATOM 771 C LEU X 102 -18.644 14.266 22.637 1.00 20.27 C ATOM 772 O LEU X 102 -19.333 14.747 21.735 1.00 18.93 O ATOM 773 CB LEU X 102 -18.802 11.835 23.222 1.00 20.31 C ATOM 774 CG LEU X 102 -18.453 10.370 22.887 1.00 21.24 C ATOM 775 CD1 LEU X 102 -19.172 9.333 23.857 1.00 24.62 C ATOM 776 CD2 LEU X 102 -18.583 10.038 21.309 1.00 21.17 C ATOM 0 H LEU X 102 -16.385 12.188 23.353 1.00 19.39 H new ATOM 0 HA LEU X 102 -18.038 12.699 21.510 1.00 20.01 H new ATOM 0 HB2 LEU X 102 -18.667 11.974 24.172 1.00 20.31 H new ATOM 0 HB3 LEU X 102 -19.746 11.975 23.046 1.00 20.31 H new ATOM 0 HG LEU X 102 -17.508 10.254 23.072 1.00 21.24 H new ATOM 0 HD11 LEU X 102 -18.922 8.430 23.607 1.00 24.62 H new ATOM 0 HD12 LEU X 102 -18.899 9.502 24.772 1.00 24.62 H new ATOM 0 HD13 LEU X 102 -20.134 9.434 23.783 1.00 24.62 H new ATOM 0 HD21 LEU X 102 -18.354 9.108 21.154 1.00 21.17 H new ATOM 0 HD22 LEU X 102 -19.494 10.199 21.018 1.00 21.17 H new ATOM 0 HD23 LEU X 102 -17.979 10.608 20.807 1.00 21.17 H new ATOM 777 N GLU X 103 -18.455 14.857 23.832 1.00 19.64 N ATOM 778 CA GLU X 103 -18.888 16.233 24.148 1.00 21.47 C ATOM 779 C GLU X 103 -18.370 17.276 23.162 1.00 21.72 C ATOM 780 O GLU X 103 -19.173 18.137 22.683 1.00 21.60 O ATOM 781 CB GLU X 103 -18.613 16.579 25.646 1.00 22.09 C ATOM 782 CG GLU X 103 -18.643 18.049 26.026 1.00 25.53 C ATOM 783 CD GLU X 103 -17.305 18.757 25.672 1.00 29.05 C ATOM 784 OE1 GLU X 103 -16.181 18.157 25.800 1.00 36.24 O ATOM 785 OE2 GLU X 103 -17.385 19.914 25.277 1.00 32.75 O ATOM 0 H GLU X 103 -18.066 14.463 24.490 1.00 19.64 H new ATOM 0 HA GLU X 103 -19.850 16.265 24.030 1.00 21.47 H new ATOM 0 HB2 GLU X 103 -19.268 16.113 26.189 1.00 22.09 H new ATOM 0 HB3 GLU X 103 -17.743 16.223 25.884 1.00 22.09 H new ATOM 0 HG2 GLU X 103 -19.375 18.489 25.565 1.00 25.53 H new ATOM 0 HG3 GLU X 103 -18.814 18.135 26.977 1.00 25.53 H new ATOM 786 N LEU X 104 -17.075 17.146 22.794 1.00 21.17 N ATOM 787 CA LEU X 104 -16.438 18.028 21.849 1.00 20.00 C ATOM 788 C LEU X 104 -17.074 17.837 20.481 1.00 19.54 C ATOM 789 O LEU X 104 -17.366 18.823 19.819 1.00 17.96 O ATOM 790 CB LEU X 104 -14.919 17.831 21.801 1.00 19.69 C ATOM 791 CG LEU X 104 -14.111 18.424 20.632 1.00 20.70 C ATOM 792 CD1 LEU X 104 -14.337 19.937 20.526 1.00 22.83 C ATOM 793 CD2 LEU X 104 -12.670 18.227 20.907 1.00 21.73 C ATOM 0 H LEU X 104 -16.556 16.532 23.100 1.00 21.17 H new ATOM 0 HA LEU X 104 -16.576 18.943 22.140 1.00 20.00 H new ATOM 0 HB2 LEU X 104 -14.553 18.197 22.622 1.00 19.69 H new ATOM 0 HB3 LEU X 104 -14.750 16.876 21.816 1.00 19.69 H new ATOM 0 HG LEU X 104 -14.393 17.986 19.814 1.00 20.70 H new ATOM 0 HD11 LEU X 104 -13.820 20.290 19.785 1.00 22.83 H new ATOM 0 HD12 LEU X 104 -15.279 20.114 20.376 1.00 22.83 H new ATOM 0 HD13 LEU X 104 -14.055 20.365 21.350 1.00 22.83 H new ATOM 0 HD21 LEU X 104 -12.148 18.596 20.178 1.00 21.73 H new ATOM 0 HD22 LEU X 104 -12.434 18.677 21.733 1.00 21.73 H new ATOM 0 HD23 LEU X 104 -12.483 17.279 20.990 1.00 21.73 H new ATOM 794 N LEU X 105 -17.304 16.587 20.098 1.00 17.23 N ATOM 795 CA LEU X 105 -17.963 16.277 18.784 1.00 18.02 C ATOM 796 C LEU X 105 -19.418 16.766 18.725 1.00 19.49 C ATOM 797 O LEU X 105 -19.858 17.340 17.736 1.00 20.25 O ATOM 798 CB LEU X 105 -17.895 14.769 18.495 1.00 17.40 C ATOM 799 CG LEU X 105 -16.486 14.205 18.355 1.00 15.36 C ATOM 800 CD1 LEU X 105 -16.411 12.684 18.660 1.00 16.79 C ATOM 801 CD2 LEU X 105 -16.050 14.613 16.889 1.00 17.74 C ATOM 0 H LEU X 105 -17.096 15.895 20.564 1.00 17.23 H new ATOM 0 HA LEU X 105 -17.473 16.759 18.100 1.00 18.02 H new ATOM 0 HB2 LEU X 105 -18.349 14.295 19.209 1.00 17.40 H new ATOM 0 HB3 LEU X 105 -18.385 14.587 17.678 1.00 17.40 H new ATOM 0 HG LEU X 105 -15.869 14.566 19.010 1.00 15.36 H new ATOM 0 HD11 LEU X 105 -15.496 12.378 18.557 1.00 16.79 H new ATOM 0 HD12 LEU X 105 -16.705 12.521 19.570 1.00 16.79 H new ATOM 0 HD13 LEU X 105 -16.985 12.202 18.044 1.00 16.79 H new ATOM 0 HD21 LEU X 105 -15.153 14.288 16.716 1.00 17.74 H new ATOM 0 HD22 LEU X 105 -16.664 14.222 16.248 1.00 17.74 H new ATOM 0 HD23 LEU X 105 -16.066 15.579 16.804 1.00 17.74 H new ATOM 802 N TYR X 106 -20.187 16.599 19.794 1.00 19.61 N ATOM 803 CA TYR X 106 -21.577 17.031 19.688 1.00 22.18 C ATOM 804 C TYR X 106 -21.705 18.581 19.759 1.00 23.31 C ATOM 805 O TYR X 106 -22.512 19.167 19.001 1.00 23.20 O ATOM 806 CB TYR X 106 -22.511 16.295 20.668 1.00 22.14 C ATOM 807 CG TYR X 106 -22.562 14.771 20.538 1.00 24.81 C ATOM 808 CD1 TYR X 106 -22.666 14.143 19.289 1.00 28.88 C ATOM 809 CD2 TYR X 106 -22.479 13.968 21.667 1.00 27.00 C ATOM 810 CE1 TYR X 106 -22.687 12.756 19.182 1.00 30.79 C ATOM 811 CE2 TYR X 106 -22.510 12.604 21.584 1.00 27.29 C ATOM 812 CZ TYR X 106 -22.624 11.992 20.359 1.00 31.25 C ATOM 813 OH TYR X 106 -22.650 10.623 20.332 1.00 31.34 O ATOM 0 H TYR X 106 -19.946 16.260 20.547 1.00 19.61 H new ATOM 0 HA TYR X 106 -21.886 16.771 18.806 1.00 22.18 H new ATOM 0 HB2 TYR X 106 -22.238 16.515 21.572 1.00 22.14 H new ATOM 0 HB3 TYR X 106 -23.410 16.641 20.551 1.00 22.14 H new ATOM 0 HD1 TYR X 106 -22.722 14.662 18.519 1.00 28.88 H new ATOM 0 HD2 TYR X 106 -22.400 14.369 22.502 1.00 27.00 H new ATOM 0 HE1 TYR X 106 -22.742 12.344 18.350 1.00 30.79 H new ATOM 0 HE2 TYR X 106 -22.454 12.090 22.357 1.00 27.29 H new ATOM 0 HH TYR X 106 -22.603 10.326 21.116 1.00 31.34 H new ATOM 814 N ARG X 107 -20.892 19.232 20.628 1.00 23.50 N ATOM 815 CA ARG X 107 -20.684 20.695 20.618 1.00 23.81 C ATOM 816 C ARG X 107 -20.372 21.224 19.210 1.00 24.23 C ATOM 817 O ARG X 107 -21.026 22.155 18.721 1.00 23.70 O ATOM 818 CB ARG X 107 -19.480 21.066 21.486 1.00 24.88 C ATOM 819 CG ARG X 107 -19.523 22.439 22.198 1.00 28.10 C ATOM 820 CD ARG X 107 -18.506 22.460 23.391 1.00 24.72 C ATOM 821 NE ARG X 107 -17.296 23.105 22.910 1.00 32.50 N ATOM 822 CZ ARG X 107 -16.068 22.662 23.056 1.00 32.79 C ATOM 823 NH1 ARG X 107 -15.081 23.380 22.542 1.00 35.01 N ATOM 824 NH2 ARG X 107 -15.818 21.564 23.757 1.00 27.65 N ATOM 0 H ARG X 107 -20.446 18.828 21.242 1.00 23.50 H new ATOM 0 HA ARG X 107 -21.507 21.086 20.950 1.00 23.81 H new ATOM 0 HB2 ARG X 107 -19.373 20.379 22.162 1.00 24.88 H new ATOM 0 HB3 ARG X 107 -18.687 21.041 20.928 1.00 24.88 H new ATOM 0 HG2 ARG X 107 -19.308 23.145 21.568 1.00 28.10 H new ATOM 0 HG3 ARG X 107 -20.419 22.614 22.525 1.00 28.10 H new ATOM 0 HD2 ARG X 107 -18.875 22.943 24.147 1.00 24.72 H new ATOM 0 HD3 ARG X 107 -18.316 21.559 23.695 1.00 24.72 H new ATOM 0 HE ARG X 107 -17.393 23.849 22.489 1.00 32.50 H new ATOM 0 HH11 ARG X 107 -15.254 24.113 22.127 1.00 35.01 H new ATOM 0 HH12 ARG X 107 -14.268 23.113 22.623 1.00 35.01 H new ATOM 0 HH21 ARG X 107 -16.465 21.131 24.124 1.00 27.65 H new ATOM 0 HH22 ARG X 107 -15.009 21.285 23.845 1.00 27.65 H new ATOM 825 N THR X 108 -19.346 20.634 18.607 1.00 24.08 N ATOM 826 CA THR X 108 -18.759 21.060 17.332 1.00 25.18 C ATOM 827 C THR X 108 -19.584 20.698 16.081 1.00 26.82 C ATOM 828 O THR X 108 -19.657 21.484 15.119 1.00 26.36 O ATOM 829 CB THR X 108 -17.272 20.532 17.192 1.00 25.28 C ATOM 830 OG1 THR X 108 -16.496 20.933 18.315 1.00 22.84 O ATOM 831 CG2 THR X 108 -16.585 21.068 16.007 1.00 24.68 C ATOM 0 H THR X 108 -18.954 19.945 18.940 1.00 24.08 H new ATOM 0 HA THR X 108 -18.763 22.029 17.367 1.00 25.18 H new ATOM 0 HB THR X 108 -17.345 19.567 17.121 1.00 25.28 H new ATOM 0 HG1 THR X 108 -16.789 20.557 19.007 1.00 22.84 H new ATOM 0 HG21 THR X 108 -15.682 20.715 15.969 1.00 24.68 H new ATOM 0 HG22 THR X 108 -17.068 20.807 15.207 1.00 24.68 H new ATOM 0 HG23 THR X 108 -16.551 22.036 16.063 1.00 24.68 H new ATOM 832 N TYR X 109 -20.228 19.539 16.106 1.00 27.76 N ATOM 833 CA TYR X 109 -20.988 19.060 14.952 1.00 30.04 C ATOM 834 C TYR X 109 -22.500 18.929 15.220 1.00 31.25 C ATOM 835 O TYR X 109 -23.101 17.854 15.085 1.00 32.38 O ATOM 836 CB TYR X 109 -20.358 17.773 14.426 1.00 30.27 C ATOM 837 CG TYR X 109 -18.900 17.962 14.100 1.00 29.63 C ATOM 838 CD1 TYR X 109 -18.502 18.433 12.843 1.00 33.13 C ATOM 839 CD2 TYR X 109 -17.928 17.710 15.046 1.00 31.31 C ATOM 840 CE1 TYR X 109 -17.169 18.649 12.551 1.00 32.27 C ATOM 841 CE2 TYR X 109 -16.587 17.911 14.777 1.00 33.52 C ATOM 842 CZ TYR X 109 -16.211 18.370 13.522 1.00 34.20 C ATOM 843 OH TYR X 109 -14.877 18.554 13.235 1.00 36.40 O ATOM 0 H TYR X 109 -20.239 19.010 16.784 1.00 27.76 H new ATOM 0 HA TYR X 109 -20.933 19.735 14.257 1.00 30.04 H new ATOM 0 HB2 TYR X 109 -20.454 17.071 15.088 1.00 30.27 H new ATOM 0 HB3 TYR X 109 -20.833 17.481 13.632 1.00 30.27 H new ATOM 0 HD1 TYR X 109 -19.146 18.603 12.194 1.00 33.13 H new ATOM 0 HD2 TYR X 109 -18.181 17.397 15.885 1.00 31.31 H new ATOM 0 HE1 TYR X 109 -16.915 18.976 11.718 1.00 32.27 H new ATOM 0 HE2 TYR X 109 -15.945 17.741 15.428 1.00 33.52 H new ATOM 0 HH TYR X 109 -14.429 18.513 13.945 1.00 36.40 H new ATOM 844 N GLY X 110 -23.125 20.047 15.553 1.00 32.75 N ATOM 845 CA GLY X 110 -24.543 20.025 15.940 1.00 35.75 C ATOM 846 C GLY X 110 -25.502 20.039 14.763 1.00 36.45 C ATOM 847 O GLY X 110 -25.063 20.036 13.597 1.00 36.18 O ATOM 0 H GLY X 110 -22.759 20.825 15.564 1.00 32.75 H new ATOM 0 HA2 GLY X 110 -24.711 19.233 16.474 1.00 35.75 H new ATOM 0 HA3 GLY X 110 -24.727 20.792 16.505 1.00 35.75 H new ATOM 848 N SER X 111 -26.802 20.046 15.072 1.00 37.82 N ATOM 849 CA SER X 111 -27.900 20.179 14.075 1.00 39.25 C ATOM 850 C SER X 111 -27.729 21.372 13.122 1.00 39.76 C ATOM 851 O SER X 111 -28.094 21.281 11.939 1.00 40.62 O ATOM 852 CB SER X 111 -29.235 20.308 14.793 1.00 39.82 C ATOM 853 OG SER X 111 -29.211 21.467 15.613 1.00 41.62 O ATOM 0 H SER X 111 -27.086 19.973 15.880 1.00 37.82 H new ATOM 0 HA SER X 111 -27.870 19.375 13.532 1.00 39.25 H new ATOM 0 HB2 SER X 111 -29.957 20.369 14.148 1.00 39.82 H new ATOM 0 HB3 SER X 111 -29.402 19.520 15.333 1.00 39.82 H new ATOM 0 HG SER X 111 -29.947 21.544 16.011 1.00 41.62 H new ATOM 854 N GLU X 112 -27.141 22.449 13.624 1.00 39.80 N ATOM 855 CA GLU X 112 -26.869 23.609 12.794 1.00 39.06 C ATOM 856 C GLU X 112 -25.496 23.519 12.135 1.00 37.98 C ATOM 857 O GLU X 112 -24.941 24.539 11.726 1.00 37.69 O ATOM 858 CB GLU X 112 -26.971 24.893 13.621 1.00 40.65 C ATOM 859 CG GLU X 112 -25.853 25.067 14.636 1.00 44.18 C ATOM 860 CD GLU X 112 -24.667 25.825 14.073 1.00 48.14 C ATOM 861 OE1 GLU X 112 -23.726 25.174 13.573 1.00 48.60 O ATOM 862 OE2 GLU X 112 -24.675 27.073 14.131 1.00 49.98 O ATOM 0 H GLU X 112 -26.892 22.527 14.443 1.00 39.80 H new ATOM 0 HA GLU X 112 -27.537 23.629 12.091 1.00 39.06 H new ATOM 0 HB2 GLU X 112 -26.971 25.654 13.020 1.00 40.65 H new ATOM 0 HB3 GLU X 112 -27.822 24.900 14.087 1.00 40.65 H new ATOM 0 HG2 GLU X 112 -26.195 25.539 15.411 1.00 44.18 H new ATOM 0 HG3 GLU X 112 -25.559 24.194 14.941 1.00 44.18 H new ATOM 863 N SER X 113 -24.939 22.313 12.024 1.00 36.02 N ATOM 864 CA SER X 113 -23.620 22.193 11.384 1.00 33.51 C ATOM 865 C SER X 113 -23.577 21.752 9.937 1.00 32.95 C ATOM 866 O SER X 113 -24.311 20.858 9.512 1.00 32.24 O ATOM 867 CB SER X 113 -22.675 21.331 12.229 1.00 33.58 C ATOM 868 OG SER X 113 -21.396 21.294 11.630 1.00 31.91 O ATOM 0 H SER X 113 -25.288 21.577 12.299 1.00 36.02 H new ATOM 0 HA SER X 113 -23.319 23.115 11.348 1.00 33.51 H new ATOM 0 HB2 SER X 113 -22.610 21.692 13.127 1.00 33.58 H new ATOM 0 HB3 SER X 113 -23.030 20.432 12.310 1.00 33.58 H new ATOM 0 HG SER X 113 -21.211 20.504 11.412 1.00 31.91 H new ATOM 869 N SER X 114 -22.656 22.357 9.197 1.00 33.25 N ATOM 870 CA SER X 114 -22.408 21.979 7.801 1.00 33.80 C ATOM 871 C SER X 114 -21.947 20.511 7.727 1.00 33.40 C ATOM 872 O SER X 114 -22.355 19.751 6.823 1.00 33.29 O ATOM 873 CB SER X 114 -21.370 22.899 7.194 1.00 34.18 C ATOM 874 OG SER X 114 -21.386 22.796 5.780 1.00 38.32 O ATOM 0 H SER X 114 -22.157 22.996 9.484 1.00 33.25 H new ATOM 0 HA SER X 114 -23.231 22.067 7.294 1.00 33.80 H new ATOM 0 HB2 SER X 114 -21.546 23.815 7.460 1.00 34.18 H new ATOM 0 HB3 SER X 114 -20.490 22.670 7.531 1.00 34.18 H new ATOM 0 HG SER X 114 -20.808 23.311 5.455 1.00 38.32 H new ATOM 875 N VAL X 115 -21.109 20.122 8.701 1.00 32.16 N ATOM 876 CA VAL X 115 -20.686 18.722 8.831 1.00 30.87 C ATOM 877 C VAL X 115 -21.351 18.046 10.045 1.00 30.02 C ATOM 878 O VAL X 115 -21.330 18.592 11.142 1.00 29.44 O ATOM 879 CB VAL X 115 -19.170 18.594 8.835 1.00 30.71 C ATOM 880 CG1 VAL X 115 -18.754 17.218 9.268 1.00 32.16 C ATOM 881 CG2 VAL X 115 -18.588 18.907 7.401 1.00 31.86 C ATOM 0 H VAL X 115 -20.777 20.652 9.292 1.00 32.16 H new ATOM 0 HA VAL X 115 -20.995 18.241 8.047 1.00 30.87 H new ATOM 0 HB VAL X 115 -18.814 19.238 9.467 1.00 30.71 H new ATOM 0 HG11 VAL X 115 -17.786 17.156 9.264 1.00 32.16 H new ATOM 0 HG12 VAL X 115 -19.085 17.046 10.164 1.00 32.16 H new ATOM 0 HG13 VAL X 115 -19.122 16.561 8.656 1.00 32.16 H new ATOM 0 HG21 VAL X 115 -17.622 18.822 7.418 1.00 31.86 H new ATOM 0 HG22 VAL X 115 -18.956 18.281 6.758 1.00 31.86 H new ATOM 0 HG23 VAL X 115 -18.828 19.811 7.144 1.00 31.86 H new ATOM 882 N GLN X 116 -21.936 16.859 9.814 1.00 29.52 N ATOM 883 CA GLN X 116 -22.690 16.086 10.807 1.00 29.08 C ATOM 884 C GLN X 116 -22.080 14.689 11.042 1.00 27.54 C ATOM 885 O GLN X 116 -21.582 14.065 10.132 1.00 28.78 O ATOM 886 CB GLN X 116 -24.093 15.847 10.282 1.00 30.34 C ATOM 887 CG GLN X 116 -24.904 17.119 9.993 1.00 34.26 C ATOM 888 CD GLN X 116 -25.674 17.507 11.212 1.00 37.64 C ATOM 889 OE1 GLN X 116 -26.580 16.784 11.641 1.00 39.81 O ATOM 890 NE2 GLN X 116 -25.298 18.623 11.811 1.00 39.41 N ATOM 0 H GLN X 116 -21.901 16.472 9.047 1.00 29.52 H new ATOM 0 HA GLN X 116 -22.675 16.595 11.633 1.00 29.08 H new ATOM 0 HB2 GLN X 116 -24.034 15.325 9.466 1.00 30.34 H new ATOM 0 HB3 GLN X 116 -24.578 15.310 10.928 1.00 30.34 H new ATOM 0 HG2 GLN X 116 -24.310 17.840 9.731 1.00 34.26 H new ATOM 0 HG3 GLN X 116 -25.510 16.966 9.251 1.00 34.26 H new ATOM 0 HE21 GLN X 116 -24.662 19.097 11.478 1.00 39.41 H new ATOM 0 HE22 GLN X 116 -25.689 18.876 12.534 1.00 39.41 H new ATOM 891 N ILE X 117 -22.145 14.184 12.257 1.00 24.83 N ATOM 892 CA ILE X 117 -21.520 12.897 12.543 1.00 23.06 C ATOM 893 C ILE X 117 -22.461 11.743 12.163 1.00 22.37 C ATOM 894 O ILE X 117 -23.687 11.797 12.489 1.00 22.58 O ATOM 895 CB ILE X 117 -21.264 12.810 14.073 1.00 22.61 C ATOM 896 CG1 ILE X 117 -20.280 13.874 14.515 1.00 22.51 C ATOM 897 CG2 ILE X 117 -20.809 11.401 14.524 1.00 19.99 C ATOM 898 CD1 ILE X 117 -20.361 14.012 15.982 1.00 24.41 C ATOM 0 H ILE X 117 -22.538 14.558 12.925 1.00 24.83 H new ATOM 0 HA ILE X 117 -20.697 12.826 12.034 1.00 23.06 H new ATOM 0 HB ILE X 117 -22.113 12.976 14.511 1.00 22.61 H new ATOM 0 HG12 ILE X 117 -19.379 13.631 14.249 1.00 22.51 H new ATOM 0 HG13 ILE X 117 -20.484 14.720 14.086 1.00 22.51 H new ATOM 0 HG21 ILE X 117 -20.663 11.399 15.483 1.00 19.99 H new ATOM 0 HG22 ILE X 117 -21.495 10.752 14.301 1.00 19.99 H new ATOM 0 HG23 ILE X 117 -19.984 11.167 14.071 1.00 19.99 H new ATOM 0 HD11 ILE X 117 -19.735 14.691 16.278 1.00 24.41 H new ATOM 0 HD12 ILE X 117 -21.261 14.271 16.234 1.00 24.41 H new ATOM 0 HD13 ILE X 117 -20.140 13.165 16.400 1.00 24.41 H new ATOM 899 N ASN X 118 -21.902 10.700 11.547 1.00 21.04 N ATOM 900 CA ASN X 118 -22.638 9.439 11.266 1.00 20.33 C ATOM 901 C ASN X 118 -22.283 8.395 12.312 1.00 21.39 C ATOM 902 O ASN X 118 -22.929 8.342 13.398 1.00 20.54 O ATOM 903 CB ASN X 118 -22.365 8.917 9.849 1.00 21.67 C ATOM 904 CG ASN X 118 -23.037 7.593 9.587 1.00 20.90 C ATOM 905 OD1 ASN X 118 -24.350 7.584 9.688 1.00 26.33 O flip ATOM 906 ND2 ASN X 118 -22.369 6.560 9.393 1.00 21.00 N flip ATOM 0 H ASN X 118 -21.086 10.693 11.276 1.00 21.04 H new ATOM 0 HA ASN X 118 -23.588 9.627 11.314 1.00 20.33 H new ATOM 0 HB2 ASN X 118 -22.676 9.569 9.201 1.00 21.67 H new ATOM 0 HB3 ASN X 118 -21.408 8.823 9.720 1.00 21.67 H new ATOM 0 HD21 ASN X 118 -21.512 6.607 9.333 1.00 21.00 H new ATOM 0 HD22 ASN X 118 -22.764 5.800 9.319 1.00 21.00 H new ATOM 907 N ARG X 119 -21.245 7.607 12.078 1.00 20.53 N ATOM 908 CA ARG X 119 -20.806 6.653 13.120 1.00 20.58 C ATOM 909 C ARG X 119 -19.536 7.072 13.839 1.00 19.17 C ATOM 910 O ARG X 119 -18.684 7.688 13.261 1.00 18.85 O ATOM 911 CB ARG X 119 -20.577 5.284 12.522 1.00 19.69 C ATOM 912 CG ARG X 119 -21.870 4.573 12.230 1.00 23.21 C ATOM 913 CD ARG X 119 -21.662 3.608 11.106 1.00 22.68 C ATOM 914 NE ARG X 119 -22.852 2.781 10.902 1.00 24.86 N ATOM 915 CZ ARG X 119 -22.926 1.772 10.039 1.00 24.43 C ATOM 916 NH1 ARG X 119 -21.868 1.415 9.294 1.00 26.41 N ATOM 917 NH2 ARG X 119 -24.065 1.101 9.926 1.00 25.76 N ATOM 0 H ARG X 119 -20.786 7.597 11.351 1.00 20.53 H new ATOM 0 HA ARG X 119 -21.525 6.637 13.771 1.00 20.58 H new ATOM 0 HB2 ARG X 119 -20.065 5.371 11.703 1.00 19.69 H new ATOM 0 HB3 ARG X 119 -20.046 4.750 13.133 1.00 19.69 H new ATOM 0 HG2 ARG X 119 -22.178 4.103 13.021 1.00 23.21 H new ATOM 0 HG3 ARG X 119 -22.558 5.215 11.995 1.00 23.21 H new ATOM 0 HD2 ARG X 119 -21.457 4.093 10.292 1.00 22.68 H new ATOM 0 HD3 ARG X 119 -20.899 3.041 11.298 1.00 22.68 H new ATOM 0 HE ARG X 119 -23.550 2.959 11.372 1.00 24.86 H new ATOM 0 HH11 ARG X 119 -21.125 1.841 9.370 1.00 26.41 H new ATOM 0 HH12 ARG X 119 -21.933 0.760 8.741 1.00 26.41 H new ATOM 0 HH21 ARG X 119 -24.743 1.321 10.407 1.00 25.76 H new ATOM 0 HH22 ARG X 119 -24.125 0.447 9.371 1.00 25.76 H new ATOM 918 N ILE X 120 -19.377 6.677 15.102 1.00 16.43 N ATOM 919 CA ILE X 120 -18.120 6.969 15.796 1.00 14.27 C ATOM 920 C ILE X 120 -17.336 5.628 15.986 1.00 14.82 C ATOM 921 O ILE X 120 -17.909 4.649 16.508 1.00 16.67 O ATOM 922 CB ILE X 120 -18.448 7.640 17.224 1.00 12.07 C ATOM 923 CG1 ILE X 120 -19.367 8.914 17.036 1.00 12.92 C ATOM 924 CG2 ILE X 120 -17.179 7.970 18.040 1.00 11.56 C ATOM 925 CD1 ILE X 120 -20.012 9.369 18.353 1.00 20.19 C ATOM 0 H ILE X 120 -19.964 6.252 15.564 1.00 16.43 H new ATOM 0 HA ILE X 120 -17.579 7.587 15.280 1.00 14.27 H new ATOM 0 HB ILE X 120 -18.934 6.981 17.745 1.00 12.07 H new ATOM 0 HG12 ILE X 120 -18.838 9.640 16.670 1.00 12.92 H new ATOM 0 HG13 ILE X 120 -20.063 8.716 16.390 1.00 12.92 H new ATOM 0 HG21 ILE X 120 -17.433 8.370 18.886 1.00 11.56 H new ATOM 0 HG22 ILE X 120 -16.679 7.155 18.205 1.00 11.56 H new ATOM 0 HG23 ILE X 120 -16.626 8.592 17.542 1.00 11.56 H new ATOM 0 HD11 ILE X 120 -20.564 10.150 18.190 1.00 20.19 H new ATOM 0 HD12 ILE X 120 -20.562 8.653 18.709 1.00 20.19 H new ATOM 0 HD13 ILE X 120 -19.318 9.592 18.993 1.00 20.19 H new ATOM 926 N PHE X 121 -16.058 5.580 15.563 1.00 11.52 N ATOM 927 CA PHE X 121 -15.194 4.397 15.711 1.00 10.13 C ATOM 928 C PHE X 121 -14.098 4.636 16.637 1.00 13.33 C ATOM 929 O PHE X 121 -13.490 5.755 16.644 1.00 14.01 O ATOM 930 CB PHE X 121 -14.608 4.060 14.296 1.00 10.95 C ATOM 931 CG PHE X 121 -15.609 3.484 13.408 1.00 11.06 C ATOM 932 CD1 PHE X 121 -15.852 2.147 13.417 1.00 10.67 C ATOM 933 CD2 PHE X 121 -16.304 4.321 12.493 1.00 13.30 C ATOM 934 CE1 PHE X 121 -16.777 1.594 12.541 1.00 14.95 C ATOM 935 CE2 PHE X 121 -17.261 3.779 11.669 1.00 13.36 C ATOM 936 CZ PHE X 121 -17.497 2.423 11.708 1.00 15.66 C ATOM 0 H PHE X 121 -15.668 6.243 15.178 1.00 11.52 H new ATOM 0 HA PHE X 121 -15.720 3.664 16.068 1.00 10.13 H new ATOM 0 HB2 PHE X 121 -14.249 4.867 13.896 1.00 10.95 H new ATOM 0 HB3 PHE X 121 -13.869 3.439 14.393 1.00 10.95 H new ATOM 0 HD1 PHE X 121 -15.396 1.599 14.014 1.00 10.67 H new ATOM 0 HD2 PHE X 121 -16.112 5.230 12.452 1.00 13.30 H new ATOM 0 HE1 PHE X 121 -16.909 0.674 12.517 1.00 14.95 H new ATOM 0 HE2 PHE X 121 -17.745 4.323 11.090 1.00 13.36 H new ATOM 0 HZ PHE X 121 -18.155 2.059 11.161 1.00 15.66 H new ATOM 937 N VAL X 122 -13.897 3.653 17.548 1.00 17.18 N ATOM 938 CA VAL X 122 -12.694 3.678 18.338 1.00 15.70 C ATOM 939 C VAL X 122 -11.652 2.797 17.671 1.00 15.55 C ATOM 940 O VAL X 122 -11.891 1.589 17.425 1.00 17.55 O ATOM 941 CB VAL X 122 -12.889 3.163 19.747 1.00 14.64 C ATOM 942 CG1 VAL X 122 -11.488 2.872 20.341 1.00 11.20 C ATOM 943 CG2 VAL X 122 -13.838 4.067 20.592 1.00 15.11 C ATOM 0 H VAL X 122 -14.433 2.999 17.703 1.00 17.18 H new ATOM 0 HA VAL X 122 -12.418 4.606 18.394 1.00 15.70 H new ATOM 0 HB VAL X 122 -13.376 2.324 19.754 1.00 14.64 H new ATOM 0 HG11 VAL X 122 -11.583 2.539 21.247 1.00 11.20 H new ATOM 0 HG12 VAL X 122 -11.038 2.206 19.798 1.00 11.20 H new ATOM 0 HG13 VAL X 122 -10.964 3.688 20.350 1.00 11.20 H new ATOM 0 HG21 VAL X 122 -13.930 3.696 21.483 1.00 15.11 H new ATOM 0 HG22 VAL X 122 -13.466 4.961 20.651 1.00 15.11 H new ATOM 0 HG23 VAL X 122 -14.709 4.108 20.168 1.00 15.11 H new ATOM 944 N ILE X 123 -10.518 3.410 17.279 1.00 16.69 N ATOM 945 CA ILE X 123 -9.594 2.742 16.424 1.00 14.34 C ATOM 946 C ILE X 123 -8.299 2.311 17.015 1.00 14.83 C ATOM 947 O ILE X 123 -7.321 1.976 16.338 1.00 12.80 O ATOM 948 CB ILE X 123 -9.310 3.515 15.102 1.00 11.75 C ATOM 949 CG1 ILE X 123 -8.508 4.793 15.385 1.00 11.99 C ATOM 950 CG2 ILE X 123 -10.580 3.822 14.406 1.00 15.91 C ATOM 951 CD1 ILE X 123 -7.648 5.233 14.066 1.00 18.13 C ATOM 0 H ILE X 123 -10.290 4.207 17.509 1.00 16.69 H new ATOM 0 HA ILE X 123 -10.084 1.924 16.244 1.00 14.34 H new ATOM 0 HB ILE X 123 -8.775 2.953 14.520 1.00 11.75 H new ATOM 0 HG12 ILE X 123 -9.110 5.510 15.639 1.00 11.99 H new ATOM 0 HG13 ILE X 123 -7.909 4.647 16.134 1.00 11.99 H new ATOM 0 HG21 ILE X 123 -10.391 4.303 13.585 1.00 15.91 H new ATOM 0 HG22 ILE X 123 -11.043 2.995 14.197 1.00 15.91 H new ATOM 0 HG23 ILE X 123 -11.139 4.369 14.979 1.00 15.91 H new ATOM 0 HD11 ILE X 123 -7.148 6.041 14.260 1.00 18.13 H new ATOM 0 HD12 ILE X 123 -7.033 4.521 13.828 1.00 18.13 H new ATOM 0 HD13 ILE X 123 -8.253 5.398 13.326 1.00 18.13 H new ATOM 952 N GLY X 124 -8.208 2.323 18.324 1.00 11.77 N ATOM 953 CA GLY X 124 -6.963 1.802 18.834 1.00 17.28 C ATOM 954 C GLY X 124 -6.184 2.748 19.734 1.00 19.88 C ATOM 955 O GLY X 124 -6.508 3.926 19.877 1.00 20.18 O ATOM 0 H GLY X 124 -8.793 2.599 18.891 1.00 11.77 H new ATOM 0 HA2 GLY X 124 -7.148 0.988 19.328 1.00 17.28 H new ATOM 0 HA3 GLY X 124 -6.400 1.556 18.083 1.00 17.28 H new ATOM 956 N GLY X 125 -5.070 2.188 20.172 1.00 23.26 N ATOM 957 CA GLY X 125 -4.652 2.189 21.499 1.00 24.57 C ATOM 958 C GLY X 125 -5.228 1.018 22.249 1.00 24.21 C ATOM 959 O GLY X 125 -6.416 1.002 22.539 1.00 24.03 O ATOM 0 H GLY X 125 -4.524 1.779 19.649 1.00 23.26 H new ATOM 0 HA2 GLY X 125 -3.683 2.156 21.536 1.00 24.57 H new ATOM 0 HA3 GLY X 125 -4.924 3.016 21.926 1.00 24.57 H new ATOM 960 N ALA X 126 -4.369 0.074 22.642 1.00 23.93 N ATOM 961 CA ALA X 126 -4.698 -0.756 23.779 1.00 24.32 C ATOM 962 C ALA X 126 -5.321 0.032 24.935 1.00 23.74 C ATOM 963 O ALA X 126 -6.379 -0.336 25.421 1.00 22.52 O ATOM 964 CB ALA X 126 -3.429 -1.593 24.270 1.00 25.15 C ATOM 0 H ALA X 126 -3.612 -0.092 22.269 1.00 23.93 H new ATOM 0 HA ALA X 126 -5.377 -1.379 23.475 1.00 24.32 H new ATOM 0 HB1 ALA X 126 -3.677 -2.140 25.032 1.00 25.15 H new ATOM 0 HB2 ALA X 126 -3.119 -2.164 23.550 1.00 25.15 H new ATOM 0 HB3 ALA X 126 -2.719 -0.984 24.527 1.00 25.15 H new ATOM 965 N GLN X 127 -4.691 1.109 25.404 1.00 24.13 N ATOM 966 CA GLN X 127 -5.284 1.859 26.530 1.00 24.05 C ATOM 967 C GLN X 127 -6.651 2.431 26.153 1.00 22.51 C ATOM 968 O GLN X 127 -7.584 2.404 26.939 1.00 22.22 O ATOM 969 CB GLN X 127 -4.361 3.007 26.997 1.00 25.11 C ATOM 970 CG GLN X 127 -3.125 2.585 27.757 1.00 28.16 C ATOM 971 CD GLN X 127 -2.274 3.768 28.218 1.00 30.74 C ATOM 972 OE1 GLN X 127 -2.781 4.794 28.672 1.00 34.93 O ATOM 973 NE2 GLN X 127 -0.964 3.617 28.090 1.00 35.06 N ATOM 0 H GLN X 127 -3.947 1.419 25.103 1.00 24.13 H new ATOM 0 HA GLN X 127 -5.392 1.230 27.260 1.00 24.05 H new ATOM 0 HB2 GLN X 127 -4.084 3.515 26.218 1.00 25.11 H new ATOM 0 HB3 GLN X 127 -4.877 3.607 27.558 1.00 25.11 H new ATOM 0 HG2 GLN X 127 -3.390 2.063 28.530 1.00 28.16 H new ATOM 0 HG3 GLN X 127 -2.587 2.006 27.194 1.00 28.16 H new ATOM 0 HE21 GLN X 127 -0.645 2.886 27.769 1.00 35.06 H new ATOM 0 HE22 GLN X 127 -0.433 4.250 28.328 1.00 35.06 H new ATOM 974 N LEU X 128 -6.787 2.917 24.933 1.00 21.53 N ATOM 975 CA LEU X 128 -8.061 3.498 24.570 1.00 20.38 C ATOM 976 C LEU X 128 -9.072 2.396 24.301 1.00 17.87 C ATOM 977 O LEU X 128 -10.247 2.661 24.429 1.00 19.49 O ATOM 978 CB LEU X 128 -7.926 4.362 23.334 1.00 19.73 C ATOM 979 CG LEU X 128 -8.783 5.647 23.137 1.00 25.08 C ATOM 980 CD1 LEU X 128 -9.449 5.705 21.786 1.00 25.53 C ATOM 981 CD2 LEU X 128 -9.801 6.037 24.223 1.00 23.93 C ATOM 0 H LEU X 128 -6.181 2.922 24.323 1.00 21.53 H new ATOM 0 HA LEU X 128 -8.364 4.051 25.308 1.00 20.38 H new ATOM 0 HB2 LEU X 128 -6.996 4.633 23.281 1.00 19.73 H new ATOM 0 HB3 LEU X 128 -8.098 3.789 22.570 1.00 19.73 H new ATOM 0 HG LEU X 128 -8.087 6.318 23.218 1.00 25.08 H new ATOM 0 HD11 LEU X 128 -9.968 6.521 21.716 1.00 25.53 H new ATOM 0 HD12 LEU X 128 -8.773 5.691 21.091 1.00 25.53 H new ATOM 0 HD13 LEU X 128 -10.036 4.940 21.681 1.00 25.53 H new ATOM 0 HD21 LEU X 128 -10.256 6.853 23.962 1.00 23.93 H new ATOM 0 HD22 LEU X 128 -10.451 5.325 24.328 1.00 23.93 H new ATOM 0 HD23 LEU X 128 -9.339 6.179 25.064 1.00 23.93 H new ATOM 982 N TYR X 129 -8.591 1.226 23.890 1.00 14.89 N ATOM 983 CA TYR X 129 -9.446 0.081 23.637 1.00 13.41 C ATOM 984 C TYR X 129 -9.966 -0.410 24.972 1.00 15.42 C ATOM 985 O TYR X 129 -11.058 -0.973 25.056 1.00 15.85 O ATOM 986 CB TYR X 129 -8.666 -1.028 22.931 1.00 12.30 C ATOM 987 CG TYR X 129 -8.653 -0.904 21.424 1.00 7.04 C ATOM 988 CD1 TYR X 129 -9.699 -0.289 20.750 1.00 5.78 C ATOM 989 CD2 TYR X 129 -7.594 -1.401 20.676 1.00 9.77 C ATOM 990 CE1 TYR X 129 -9.692 -0.174 19.373 1.00 6.28 C ATOM 991 CE2 TYR X 129 -7.578 -1.290 19.299 1.00 8.16 C ATOM 992 CZ TYR X 129 -8.629 -0.676 18.652 1.00 2.33 C ATOM 993 OH TYR X 129 -8.617 -0.563 17.281 1.00 5.78 O ATOM 0 H TYR X 129 -7.755 1.078 23.751 1.00 14.89 H new ATOM 0 HA TYR X 129 -10.182 0.335 23.059 1.00 13.41 H new ATOM 0 HB2 TYR X 129 -7.752 -1.025 23.255 1.00 12.30 H new ATOM 0 HB3 TYR X 129 -9.050 -1.885 23.173 1.00 12.30 H new ATOM 0 HD1 TYR X 129 -10.417 0.051 21.233 1.00 5.78 H new ATOM 0 HD2 TYR X 129 -6.883 -1.816 21.109 1.00 9.77 H new ATOM 0 HE1 TYR X 129 -10.400 0.240 18.935 1.00 6.28 H new ATOM 0 HE2 TYR X 129 -6.862 -1.628 18.811 1.00 8.16 H new ATOM 0 HH TYR X 129 -9.212 -1.058 16.954 1.00 5.78 H new ATOM 994 N LYS X 130 -9.182 -0.186 26.022 1.00 17.35 N ATOM 995 CA LYS X 130 -9.649 -0.535 27.389 1.00 18.81 C ATOM 996 C LYS X 130 -10.796 0.355 27.888 1.00 19.15 C ATOM 997 O LYS X 130 -11.790 -0.139 28.512 1.00 19.74 O ATOM 998 CB LYS X 130 -8.506 -0.530 28.406 1.00 20.28 C ATOM 999 CG LYS X 130 -9.038 -0.742 29.898 1.00 25.51 C ATOM 1000 CD LYS X 130 -7.970 -0.680 31.017 1.00 32.56 C ATOM 1001 CE LYS X 130 -8.521 -1.235 32.388 1.00 36.06 C ATOM 1002 NZ LYS X 130 -10.029 -1.103 32.536 1.00 37.78 N ATOM 0 H LYS X 130 -8.395 0.157 25.981 1.00 17.35 H new ATOM 0 HA LYS X 130 -9.996 -1.438 27.312 1.00 18.81 H new ATOM 0 HB2 LYS X 130 -7.874 -1.232 28.185 1.00 20.28 H new ATOM 0 HB3 LYS X 130 -8.027 0.312 28.350 1.00 20.28 H new ATOM 0 HG2 LYS X 130 -9.711 -0.068 30.081 1.00 25.51 H new ATOM 0 HG3 LYS X 130 -9.480 -1.604 29.945 1.00 25.51 H new ATOM 0 HD2 LYS X 130 -7.192 -1.194 30.750 1.00 32.56 H new ATOM 0 HD3 LYS X 130 -7.678 0.237 31.134 1.00 32.56 H new ATOM 0 HE2 LYS X 130 -8.276 -2.170 32.472 1.00 36.06 H new ATOM 0 HE3 LYS X 130 -8.089 -0.762 33.117 1.00 36.06 H new ATOM 0 HZ1 LYS X 130 -10.259 -1.251 33.383 1.00 37.78 H new ATOM 0 HZ2 LYS X 130 -10.280 -0.282 32.300 1.00 37.78 H new ATOM 0 HZ3 LYS X 130 -10.432 -1.698 32.011 1.00 37.78 H new ATOM 1003 N ALA X 131 -10.635 1.669 27.760 1.00 16.72 N ATOM 1004 CA ALA X 131 -11.730 2.624 28.039 1.00 16.53 C ATOM 1005 C ALA X 131 -12.928 2.344 27.160 1.00 16.36 C ATOM 1006 O ALA X 131 -13.975 2.235 27.617 1.00 14.94 O ATOM 1007 CB ALA X 131 -11.285 4.064 27.934 1.00 16.31 C ATOM 0 H ALA X 131 -9.899 2.038 27.512 1.00 16.72 H new ATOM 0 HA ALA X 131 -11.996 2.489 28.962 1.00 16.53 H new ATOM 0 HB1 ALA X 131 -12.035 4.649 28.125 1.00 16.31 H new ATOM 0 HB2 ALA X 131 -10.574 4.231 28.573 1.00 16.31 H new ATOM 0 HB3 ALA X 131 -10.960 4.238 27.037 1.00 16.31 H new ATOM 1008 N ALA X 132 -12.778 2.155 25.866 1.00 15.37 N ATOM 1009 CA ALA X 132 -13.968 1.763 25.103 1.00 16.58 C ATOM 1010 C ALA X 132 -14.766 0.537 25.563 1.00 17.35 C ATOM 1011 O ALA X 132 -15.978 0.528 25.506 1.00 18.07 O ATOM 1012 CB ALA X 132 -13.578 1.605 23.600 1.00 15.93 C ATOM 0 H ALA X 132 -12.047 2.239 25.421 1.00 15.37 H new ATOM 0 HA ALA X 132 -14.589 2.490 25.267 1.00 16.58 H new ATOM 0 HB1 ALA X 132 -14.360 1.346 23.088 1.00 15.93 H new ATOM 0 HB2 ALA X 132 -13.237 2.448 23.264 1.00 15.93 H new ATOM 0 HB3 ALA X 132 -12.894 0.923 23.513 1.00 15.93 H new ATOM 1013 N MET X 133 -14.073 -0.477 26.088 1.00 17.13 N ATOM 1014 CA MET X 133 -14.646 -1.733 26.355 1.00 17.89 C ATOM 1015 C MET X 133 -15.430 -1.504 27.625 1.00 17.89 C ATOM 1016 O MET X 133 -16.394 -2.185 27.838 1.00 20.30 O ATOM 1017 CB MET X 133 -13.554 -2.806 26.586 1.00 17.93 C ATOM 1018 CG MET X 133 -12.931 -3.285 25.232 1.00 19.61 C ATOM 1019 SD MET X 133 -14.058 -4.183 24.117 1.00 23.90 S ATOM 1020 CE MET X 133 -14.644 -5.595 25.032 1.00 21.84 C ATOM 0 H MET X 133 -13.240 -0.424 26.293 1.00 17.13 H new ATOM 0 HA MET X 133 -15.191 -2.056 25.620 1.00 17.89 H new ATOM 0 HB2 MET X 133 -12.857 -2.444 27.155 1.00 17.93 H new ATOM 0 HB3 MET X 133 -13.937 -3.564 27.054 1.00 17.93 H new ATOM 0 HG2 MET X 133 -12.587 -2.510 24.761 1.00 19.61 H new ATOM 0 HG3 MET X 133 -12.173 -3.857 25.428 1.00 19.61 H new ATOM 0 HE1 MET X 133 -14.758 -6.347 24.430 1.00 21.84 H new ATOM 0 HE2 MET X 133 -13.999 -5.826 25.719 1.00 21.84 H new ATOM 0 HE3 MET X 133 -15.495 -5.382 25.447 1.00 21.84 H new ATOM 1021 N ASP X 134 -15.007 -0.532 28.420 1.00 18.10 N ATOM 1022 CA ASP X 134 -15.791 -0.166 29.630 1.00 19.07 C ATOM 1023 C ASP X 134 -16.892 0.864 29.376 1.00 18.42 C ATOM 1024 O ASP X 134 -17.696 1.183 30.239 1.00 20.57 O ATOM 1025 CB ASP X 134 -14.876 0.291 30.774 1.00 21.47 C ATOM 1026 CG ASP X 134 -13.778 -0.706 31.087 1.00 26.56 C ATOM 1027 OD1 ASP X 134 -12.573 -0.354 30.977 1.00 32.49 O ATOM 1028 OD2 ASP X 134 -14.103 -1.838 31.460 1.00 33.22 O ATOM 0 H ASP X 134 -14.290 -0.073 28.296 1.00 18.10 H new ATOM 0 HA ASP X 134 -16.245 -0.982 29.893 1.00 19.07 H new ATOM 0 HB2 ASP X 134 -14.476 1.143 30.541 1.00 21.47 H new ATOM 0 HB3 ASP X 134 -15.410 0.437 31.570 1.00 21.47 H new ATOM 1029 N HIS X 135 -16.995 1.403 28.176 1.00 17.70 N ATOM 1030 CA HIS X 135 -17.977 2.468 27.974 1.00 16.12 C ATOM 1031 C HIS X 135 -19.368 1.865 27.670 1.00 15.72 C ATOM 1032 O HIS X 135 -19.455 0.870 27.018 1.00 19.78 O ATOM 1033 CB HIS X 135 -17.512 3.341 26.803 1.00 12.66 C ATOM 1034 CG HIS X 135 -18.332 4.563 26.607 1.00 2.00 C ATOM 1035 ND1 HIS X 135 -19.541 4.713 26.053 1.00 16.63 N flip ATOM 1036 CD2 HIS X 135 -17.868 5.821 26.882 1.00 2.00 C flip ATOM 1037 CE1 HIS X 135 -19.809 6.029 26.022 1.00 14.51 C flip ATOM 1038 NE2 HIS X 135 -18.788 6.689 26.527 1.00 9.56 N flip ATOM 0 H HIS X 135 -16.530 1.184 27.486 1.00 17.70 H new ATOM 0 HA HIS X 135 -18.051 3.005 28.779 1.00 16.12 H new ATOM 0 HB2 HIS X 135 -16.589 3.601 26.950 1.00 12.66 H new ATOM 0 HB3 HIS X 135 -17.532 2.814 25.989 1.00 12.66 H new ATOM 0 HD2 HIS X 135 -17.042 6.026 27.256 1.00 2.00 H new ATOM 0 HE1 HIS X 135 -20.591 6.413 25.696 1.00 14.51 H new ATOM 0 HE2 HIS X 135 -18.733 7.543 26.610 1.00 9.56 H new ATOM 1039 N PRO X 136 -20.445 2.475 28.143 1.00 18.45 N ATOM 1040 CA PRO X 136 -21.810 1.974 27.988 1.00 17.70 C ATOM 1041 C PRO X 136 -22.336 2.025 26.556 1.00 18.39 C ATOM 1042 O PRO X 136 -23.243 1.248 26.205 1.00 16.89 O ATOM 1043 CB PRO X 136 -22.599 2.884 28.924 1.00 19.94 C ATOM 1044 CG PRO X 136 -21.573 4.029 29.311 1.00 12.99 C ATOM 1045 CD PRO X 136 -20.364 3.267 29.387 1.00 16.24 C ATOM 0 HA PRO X 136 -21.880 1.030 28.200 1.00 17.70 H new ATOM 0 HB2 PRO X 136 -23.385 3.246 28.486 1.00 19.94 H new ATOM 0 HB3 PRO X 136 -22.907 2.404 29.709 1.00 19.94 H new ATOM 0 HG2 PRO X 136 -21.528 4.729 28.641 1.00 12.99 H new ATOM 0 HG3 PRO X 136 -21.795 4.457 30.153 1.00 12.99 H new ATOM 0 HD2 PRO X 136 -19.576 3.832 29.411 1.00 16.24 H new ATOM 0 HD3 PRO X 136 -20.334 2.705 30.177 1.00 16.24 H new ATOM 1046 N LYS X 137 -21.704 2.820 25.717 1.00 17.50 N ATOM 1047 CA LYS X 137 -22.292 3.030 24.369 1.00 16.46 C ATOM 1048 C LYS X 137 -21.575 2.164 23.329 1.00 16.74 C ATOM 1049 O LYS X 137 -22.076 2.012 22.211 1.00 17.69 O ATOM 1050 CB LYS X 137 -22.419 4.532 24.096 1.00 14.46 C ATOM 1051 CG LYS X 137 -23.337 5.248 25.237 1.00 18.93 C ATOM 1052 CD LYS X 137 -24.722 4.678 25.218 1.00 22.77 C ATOM 1053 CE LYS X 137 -25.474 5.034 23.892 1.00 30.24 C ATOM 1054 NZ LYS X 137 -26.838 4.426 23.717 1.00 28.74 N ATOM 0 H LYS X 137 -20.969 3.237 25.878 1.00 17.50 H new ATOM 0 HA LYS X 137 -23.206 2.710 24.310 1.00 16.46 H new ATOM 0 HB2 LYS X 137 -21.538 4.938 24.081 1.00 14.46 H new ATOM 0 HB3 LYS X 137 -22.813 4.674 23.221 1.00 14.46 H new ATOM 0 HG2 LYS X 137 -22.938 5.118 26.112 1.00 18.93 H new ATOM 0 HG3 LYS X 137 -23.371 6.205 25.081 1.00 18.93 H new ATOM 0 HD2 LYS X 137 -24.677 3.714 25.317 1.00 22.77 H new ATOM 0 HD3 LYS X 137 -25.223 5.018 25.976 1.00 22.77 H new ATOM 0 HE2 LYS X 137 -25.562 5.999 23.841 1.00 30.24 H new ATOM 0 HE3 LYS X 137 -24.920 4.760 23.145 1.00 30.24 H new ATOM 0 HZ1 LYS X 137 -27.181 4.686 22.938 1.00 28.74 H new ATOM 0 HZ2 LYS X 137 -26.772 3.539 23.730 1.00 28.74 H new ATOM 0 HZ3 LYS X 137 -27.369 4.693 24.379 1.00 28.74 H new ATOM 1055 N LEU X 138 -20.463 1.528 23.712 1.00 16.39 N ATOM 1056 CA LEU X 138 -19.789 0.549 22.856 1.00 16.91 C ATOM 1057 C LEU X 138 -20.672 -0.693 22.685 1.00 16.20 C ATOM 1058 O LEU X 138 -21.035 -1.331 23.641 1.00 16.42 O ATOM 1059 CB LEU X 138 -18.444 0.099 23.412 1.00 16.21 C ATOM 1060 CG LEU X 138 -17.426 -0.730 22.644 1.00 20.98 C ATOM 1061 CD1 LEU X 138 -17.370 -2.169 22.933 1.00 23.45 C ATOM 1062 CD2 LEU X 138 -17.563 -0.470 21.184 1.00 15.42 C ATOM 0 H LEU X 138 -20.081 1.652 24.472 1.00 16.39 H new ATOM 0 HA LEU X 138 -19.634 0.992 22.007 1.00 16.91 H new ATOM 0 HB2 LEU X 138 -17.982 0.908 23.683 1.00 16.21 H new ATOM 0 HB3 LEU X 138 -18.641 -0.400 24.220 1.00 16.21 H new ATOM 0 HG LEU X 138 -16.568 -0.421 22.975 1.00 20.98 H new ATOM 0 HD11 LEU X 138 -16.686 -2.583 22.383 1.00 23.45 H new ATOM 0 HD12 LEU X 138 -17.156 -2.303 23.870 1.00 23.45 H new ATOM 0 HD13 LEU X 138 -18.230 -2.572 22.737 1.00 23.45 H new ATOM 0 HD21 LEU X 138 -16.912 -1.000 20.698 1.00 15.42 H new ATOM 0 HD22 LEU X 138 -18.457 -0.711 20.895 1.00 15.42 H new ATOM 0 HD23 LEU X 138 -17.409 0.471 21.007 1.00 15.42 H new ATOM 1063 N ASP X 139 -21.060 -1.033 21.450 1.00 14.78 N ATOM 1064 CA ASP X 139 -21.902 -2.203 21.300 1.00 14.40 C ATOM 1065 C ASP X 139 -21.497 -3.103 20.154 1.00 15.76 C ATOM 1066 O ASP X 139 -22.202 -4.039 19.830 1.00 17.21 O ATOM 1067 CB ASP X 139 -23.390 -1.750 21.150 1.00 17.22 C ATOM 1068 CG ASP X 139 -23.640 -0.919 19.900 1.00 19.28 C ATOM 1069 OD1 ASP X 139 -24.810 -0.500 19.799 1.00 22.32 O ATOM 1070 OD2 ASP X 139 -22.691 -0.673 19.030 1.00 14.48 O ATOM 0 H ASP X 139 -20.855 -0.618 20.725 1.00 14.78 H new ATOM 0 HA ASP X 139 -21.792 -2.739 22.101 1.00 14.40 H new ATOM 0 HB2 ASP X 139 -23.960 -2.534 21.129 1.00 17.22 H new ATOM 0 HB3 ASP X 139 -23.645 -1.234 21.931 1.00 17.22 H new ATOM 1071 N ARG X 140 -20.326 -2.866 19.592 1.00 16.56 N ATOM 1072 CA ARG X 140 -20.015 -3.506 18.333 1.00 17.06 C ATOM 1073 C ARG X 140 -18.513 -3.537 18.206 1.00 16.18 C ATOM 1074 O ARG X 140 -17.872 -2.530 18.522 1.00 16.00 O ATOM 1075 CB ARG X 140 -20.639 -2.629 17.305 1.00 16.88 C ATOM 1076 CG ARG X 140 -20.620 -3.212 15.874 1.00 17.76 C ATOM 1077 CD ARG X 140 -21.471 -2.306 14.941 1.00 19.13 C ATOM 1078 NE ARG X 140 -22.875 -2.229 15.324 1.00 19.52 N ATOM 1079 CZ ARG X 140 -23.797 -3.150 15.044 1.00 20.03 C ATOM 1080 NH1 ARG X 140 -25.029 -2.983 15.495 1.00 22.35 N ATOM 1081 NH2 ARG X 140 -23.496 -4.220 14.308 1.00 19.85 N ATOM 0 H ARG X 140 -19.714 -2.353 19.912 1.00 16.56 H new ATOM 0 HA ARG X 140 -20.341 -4.416 18.247 1.00 17.06 H new ATOM 0 HB2 ARG X 140 -21.559 -2.454 17.559 1.00 16.88 H new ATOM 0 HB3 ARG X 140 -20.179 -1.775 17.301 1.00 16.88 H new ATOM 0 HG2 ARG X 140 -19.708 -3.265 15.547 1.00 17.76 H new ATOM 0 HG3 ARG X 140 -20.974 -4.115 15.876 1.00 17.76 H new ATOM 0 HD2 ARG X 140 -21.095 -1.412 14.940 1.00 19.13 H new ATOM 0 HD3 ARG X 140 -21.409 -2.641 14.033 1.00 19.13 H new ATOM 0 HE ARG X 140 -23.128 -1.535 15.765 1.00 19.52 H new ATOM 0 HH11 ARG X 140 -25.226 -2.288 15.962 1.00 22.35 H new ATOM 0 HH12 ARG X 140 -25.634 -3.570 15.322 1.00 22.35 H new ATOM 0 HH21 ARG X 140 -22.697 -4.324 14.006 1.00 19.85 H new ATOM 0 HH22 ARG X 140 -24.101 -4.807 14.135 1.00 19.85 H new ATOM 1082 N ILE X 141 -17.939 -4.671 17.777 1.00 16.50 N ATOM 1083 CA ILE X 141 -16.492 -4.763 17.470 1.00 14.85 C ATOM 1084 C ILE X 141 -16.413 -5.298 16.078 1.00 14.92 C ATOM 1085 O ILE X 141 -16.980 -6.363 15.794 1.00 15.92 O ATOM 1086 CB ILE X 141 -15.756 -5.805 18.368 1.00 17.54 C ATOM 1087 CG1 ILE X 141 -15.658 -5.263 19.772 1.00 11.40 C ATOM 1088 CG2 ILE X 141 -14.331 -5.960 17.959 1.00 11.55 C ATOM 1089 CD1 ILE X 141 -15.432 -6.325 20.926 1.00 22.42 C ATOM 0 H ILE X 141 -18.370 -5.405 17.655 1.00 16.50 H new ATOM 0 HA ILE X 141 -16.084 -3.893 17.605 1.00 14.85 H new ATOM 0 HB ILE X 141 -16.250 -6.636 18.295 1.00 17.54 H new ATOM 0 HG12 ILE X 141 -14.929 -4.624 19.800 1.00 11.40 H new ATOM 0 HG13 ILE X 141 -16.472 -4.773 19.966 1.00 11.40 H new ATOM 0 HG21 ILE X 141 -13.899 -6.612 18.532 1.00 11.55 H new ATOM 0 HG22 ILE X 141 -14.289 -6.262 17.038 1.00 11.55 H new ATOM 0 HG23 ILE X 141 -13.876 -5.107 18.040 1.00 11.55 H new ATOM 0 HD11 ILE X 141 -15.384 -5.869 21.781 1.00 22.42 H new ATOM 0 HD12 ILE X 141 -16.170 -6.954 20.936 1.00 22.42 H new ATOM 0 HD13 ILE X 141 -14.603 -6.803 20.768 1.00 22.42 H new ATOM 1090 N MET X 142 -15.627 -4.610 15.261 1.00 14.93 N ATOM 1091 CA MET X 142 -15.334 -5.064 13.914 1.00 16.11 C ATOM 1092 C MET X 142 -13.907 -5.629 14.044 1.00 14.93 C ATOM 1093 O MET X 142 -12.909 -4.883 14.100 1.00 15.61 O ATOM 1094 CB MET X 142 -15.430 -3.867 12.990 1.00 16.30 C ATOM 1095 CG MET X 142 -16.820 -3.112 13.102 1.00 19.23 C ATOM 1096 SD MET X 142 -18.216 -4.133 12.592 1.00 20.73 S ATOM 1097 CE MET X 142 -17.757 -4.252 10.846 1.00 13.91 C ATOM 0 H MET X 142 -15.249 -3.867 15.474 1.00 14.93 H new ATOM 0 HA MET X 142 -15.934 -5.732 13.548 1.00 16.11 H new ATOM 0 HB2 MET X 142 -14.713 -3.247 13.195 1.00 16.30 H new ATOM 0 HB3 MET X 142 -15.299 -4.159 12.074 1.00 16.30 H new ATOM 0 HG2 MET X 142 -16.954 -2.824 14.019 1.00 19.23 H new ATOM 0 HG3 MET X 142 -16.793 -2.312 12.554 1.00 19.23 H new ATOM 0 HE1 MET X 142 -18.515 -4.575 10.333 1.00 13.91 H new ATOM 0 HE2 MET X 142 -17.496 -3.377 10.520 1.00 13.91 H new ATOM 0 HE3 MET X 142 -17.014 -4.868 10.748 1.00 13.91 H new ATOM 1098 N ALA X 143 -13.819 -6.936 14.199 1.00 14.67 N ATOM 1099 CA ALA X 143 -12.507 -7.525 14.507 1.00 18.25 C ATOM 1100 C ALA X 143 -11.993 -8.264 13.362 1.00 17.59 C ATOM 1101 O ALA X 143 -12.703 -9.167 12.818 1.00 21.10 O ATOM 1102 CB ALA X 143 -12.583 -8.461 15.643 1.00 15.47 C ATOM 0 H ALA X 143 -14.473 -7.491 14.135 1.00 14.67 H new ATOM 0 HA ALA X 143 -11.919 -6.787 14.731 1.00 18.25 H new ATOM 0 HB1 ALA X 143 -11.703 -8.830 15.818 1.00 15.47 H new ATOM 0 HB2 ALA X 143 -12.898 -7.990 16.430 1.00 15.47 H new ATOM 0 HB3 ALA X 143 -13.198 -9.180 15.429 1.00 15.47 H new ATOM 1103 N THR X 144 -10.766 -7.959 12.984 1.00 18.59 N ATOM 1104 CA THR X 144 -10.078 -8.804 12.027 1.00 18.40 C ATOM 1105 C THR X 144 -9.286 -9.853 12.823 1.00 19.27 C ATOM 1106 O THR X 144 -8.412 -9.525 13.660 1.00 18.94 O ATOM 1107 CB THR X 144 -9.171 -8.019 11.125 1.00 18.78 C ATOM 1108 OG1 THR X 144 -9.904 -6.911 10.600 1.00 18.79 O ATOM 1109 CG2 THR X 144 -8.636 -8.900 9.982 1.00 19.16 C ATOM 0 H THR X 144 -10.319 -7.279 13.263 1.00 18.59 H new ATOM 0 HA THR X 144 -10.728 -9.230 11.446 1.00 18.40 H new ATOM 0 HB THR X 144 -8.407 -7.701 11.631 1.00 18.78 H new ATOM 0 HG1 THR X 144 -9.373 -6.368 10.242 1.00 18.79 H new ATOM 0 HG21 THR X 144 -8.053 -8.373 9.413 1.00 19.16 H new ATOM 0 HG22 THR X 144 -8.138 -9.645 10.353 1.00 19.16 H new ATOM 0 HG23 THR X 144 -9.379 -9.238 9.459 1.00 19.16 H new ATOM 1110 N ILE X 145 -9.627 -11.111 12.628 1.00 19.18 N ATOM 1111 CA ILE X 145 -8.925 -12.199 13.355 1.00 21.26 C ATOM 1112 C ILE X 145 -7.765 -12.719 12.533 1.00 21.14 C ATOM 1113 O ILE X 145 -7.935 -13.025 11.349 1.00 21.29 O ATOM 1114 CB ILE X 145 -9.877 -13.319 13.828 1.00 21.81 C ATOM 1115 CG1 ILE X 145 -11.009 -12.703 14.696 1.00 23.20 C ATOM 1116 CG2 ILE X 145 -9.118 -14.364 14.662 1.00 22.09 C ATOM 1117 CD1 ILE X 145 -10.569 -11.901 15.990 1.00 27.44 C ATOM 0 H ILE X 145 -10.248 -11.372 12.093 1.00 19.18 H new ATOM 0 HA ILE X 145 -8.562 -11.821 14.171 1.00 21.26 H new ATOM 0 HB ILE X 145 -10.252 -13.754 13.046 1.00 21.81 H new ATOM 0 HG12 ILE X 145 -11.529 -12.107 14.134 1.00 23.20 H new ATOM 0 HG13 ILE X 145 -11.601 -13.420 14.973 1.00 23.20 H new ATOM 0 HG21 ILE X 145 -9.732 -15.058 14.949 1.00 22.09 H new ATOM 0 HG22 ILE X 145 -8.414 -14.759 14.124 1.00 22.09 H new ATOM 0 HG23 ILE X 145 -8.728 -13.936 15.440 1.00 22.09 H new ATOM 0 HD11 ILE X 145 -11.356 -11.566 16.447 1.00 27.44 H new ATOM 0 HD12 ILE X 145 -10.077 -12.489 16.584 1.00 27.44 H new ATOM 0 HD13 ILE X 145 -10.004 -11.156 15.733 1.00 27.44 H new ATOM 1118 N ILE X 146 -6.574 -12.731 13.126 1.00 20.58 N ATOM 1119 CA ILE X 146 -5.358 -13.128 12.417 1.00 20.21 C ATOM 1120 C ILE X 146 -4.889 -14.492 12.939 1.00 21.90 C ATOM 1121 O ILE X 146 -4.611 -14.663 14.114 1.00 21.57 O ATOM 1122 CB ILE X 146 -4.254 -12.013 12.545 1.00 19.82 C ATOM 1123 CG1 ILE X 146 -4.584 -10.811 11.625 1.00 17.95 C ATOM 1124 CG2 ILE X 146 -2.809 -12.583 12.327 1.00 19.38 C ATOM 1125 CD1 ILE X 146 -3.939 -9.582 12.039 1.00 19.56 C ATOM 0 H ILE X 146 -6.447 -12.510 13.947 1.00 20.58 H new ATOM 0 HA ILE X 146 -5.542 -13.223 11.469 1.00 20.21 H new ATOM 0 HB ILE X 146 -4.262 -11.682 13.457 1.00 19.82 H new ATOM 0 HG12 ILE X 146 -4.313 -11.022 10.718 1.00 17.95 H new ATOM 0 HG13 ILE X 146 -5.545 -10.676 11.610 1.00 17.95 H new ATOM 0 HG21 ILE X 146 -2.162 -11.866 12.414 1.00 19.38 H new ATOM 0 HG22 ILE X 146 -2.626 -13.265 12.992 1.00 19.38 H new ATOM 0 HG23 ILE X 146 -2.744 -12.971 11.440 1.00 19.38 H new ATOM 0 HD11 ILE X 146 -4.181 -8.868 11.429 1.00 19.56 H new ATOM 0 HD12 ILE X 146 -4.227 -9.352 12.936 1.00 19.56 H new ATOM 0 HD13 ILE X 146 -2.977 -9.702 12.030 1.00 19.56 H new ATOM 1126 N TYR X 147 -4.863 -15.484 12.067 1.00 21.88 N ATOM 1127 CA TYR X 147 -4.558 -16.852 12.517 1.00 23.34 C ATOM 1128 C TYR X 147 -3.062 -17.150 12.611 1.00 23.85 C ATOM 1129 O TYR X 147 -2.547 -18.080 11.942 1.00 22.46 O ATOM 1130 CB TYR X 147 -5.343 -17.888 11.659 1.00 24.50 C ATOM 1131 CG TYR X 147 -6.842 -17.760 11.890 1.00 24.98 C ATOM 1132 CD1 TYR X 147 -7.460 -18.350 12.996 1.00 26.64 C ATOM 1133 CD2 TYR X 147 -7.638 -17.020 11.025 1.00 25.59 C ATOM 1134 CE1 TYR X 147 -8.848 -18.206 13.211 1.00 28.14 C ATOM 1135 CE2 TYR X 147 -9.006 -16.871 11.236 1.00 23.71 C ATOM 1136 CZ TYR X 147 -9.596 -17.447 12.330 1.00 26.84 C ATOM 1137 OH TYR X 147 -10.941 -17.273 12.479 1.00 29.91 O ATOM 0 H TYR X 147 -5.014 -15.401 11.224 1.00 21.88 H new ATOM 0 HA TYR X 147 -4.866 -16.932 13.433 1.00 23.34 H new ATOM 0 HB2 TYR X 147 -5.144 -17.752 10.719 1.00 24.50 H new ATOM 0 HB3 TYR X 147 -5.053 -18.786 11.884 1.00 24.50 H new ATOM 0 HD1 TYR X 147 -6.951 -18.843 13.598 1.00 26.64 H new ATOM 0 HD2 TYR X 147 -7.247 -16.613 10.286 1.00 25.59 H new ATOM 0 HE1 TYR X 147 -9.255 -18.618 13.939 1.00 28.14 H new ATOM 0 HE2 TYR X 147 -9.519 -16.381 10.635 1.00 23.71 H new ATOM 0 HH TYR X 147 -11.307 -17.256 11.723 1.00 29.91 H new ATOM 1138 N LYS X 148 -2.364 -16.386 13.460 1.00 24.00 N ATOM 1139 CA LYS X 148 -0.916 -16.615 13.712 1.00 25.22 C ATOM 1140 C LYS X 148 -0.560 -15.986 15.036 1.00 26.15 C ATOM 1141 O LYS X 148 -0.951 -14.843 15.313 1.00 25.62 O ATOM 1142 CB LYS X 148 -0.045 -16.030 12.550 1.00 26.11 C ATOM 1143 CG LYS X 148 1.450 -16.477 12.481 1.00 25.82 C ATOM 1144 CD LYS X 148 1.901 -16.472 10.990 1.00 32.15 C ATOM 1145 CE LYS X 148 3.408 -16.518 10.813 1.00 34.33 C ATOM 1146 NZ LYS X 148 3.977 -17.823 11.252 1.00 37.62 N ATOM 0 H LYS X 148 -2.701 -15.730 13.903 1.00 24.00 H new ATOM 0 HA LYS X 148 -0.733 -17.567 13.746 1.00 25.22 H new ATOM 0 HB2 LYS X 148 -0.468 -16.266 11.710 1.00 26.11 H new ATOM 0 HB3 LYS X 148 -0.066 -15.063 12.617 1.00 26.11 H new ATOM 0 HG2 LYS X 148 2.005 -15.877 13.003 1.00 25.82 H new ATOM 0 HG3 LYS X 148 1.554 -17.363 12.862 1.00 25.82 H new ATOM 0 HD2 LYS X 148 1.506 -17.234 10.538 1.00 32.15 H new ATOM 0 HD3 LYS X 148 1.556 -15.675 10.558 1.00 32.15 H new ATOM 0 HE2 LYS X 148 3.629 -16.366 9.881 1.00 34.33 H new ATOM 0 HE3 LYS X 148 3.816 -15.800 11.322 1.00 34.33 H new ATOM 0 HZ1 LYS X 148 4.859 -17.817 11.135 1.00 37.62 H new ATOM 0 HZ2 LYS X 148 3.793 -17.953 12.113 1.00 37.62 H new ATOM 0 HZ3 LYS X 148 3.619 -18.480 10.770 1.00 37.62 H new ATOM 1147 N ASP X 149 0.202 -16.695 15.859 1.00 26.24 N ATOM 1148 CA ASP X 149 0.618 -16.107 17.109 1.00 27.72 C ATOM 1149 C ASP X 149 1.897 -15.257 16.889 1.00 27.01 C ATOM 1150 O ASP X 149 2.972 -15.546 17.437 1.00 26.76 O ATOM 1151 CB ASP X 149 0.724 -17.164 18.226 1.00 29.36 C ATOM 1152 CG ASP X 149 -0.650 -17.815 18.576 1.00 34.19 C ATOM 1153 OD1 ASP X 149 -0.654 -19.010 18.939 1.00 36.21 O ATOM 1154 OD2 ASP X 149 -1.730 -17.147 18.508 1.00 38.97 O ATOM 0 H ASP X 149 0.480 -17.496 15.713 1.00 26.24 H new ATOM 0 HA ASP X 149 -0.062 -15.494 17.428 1.00 27.72 H new ATOM 0 HB2 ASP X 149 1.345 -17.857 17.952 1.00 29.36 H new ATOM 0 HB3 ASP X 149 1.094 -16.751 19.022 1.00 29.36 H new ATOM 1155 N ILE X 150 1.754 -14.240 16.028 1.00 25.32 N ATOM 1156 CA ILE X 150 2.733 -13.218 15.751 1.00 25.07 C ATOM 1157 C ILE X 150 3.248 -12.546 17.048 1.00 26.05 C ATOM 1158 O ILE X 150 2.456 -12.099 17.898 1.00 26.56 O ATOM 1159 CB ILE X 150 2.119 -12.144 14.755 1.00 24.71 C ATOM 1160 CG1 ILE X 150 1.907 -12.763 13.367 1.00 22.62 C ATOM 1161 CG2 ILE X 150 3.052 -10.929 14.621 1.00 24.69 C ATOM 1162 CD1 ILE X 150 0.919 -12.010 12.460 1.00 24.83 C ATOM 0 H ILE X 150 1.034 -14.135 15.569 1.00 25.32 H new ATOM 0 HA ILE X 150 3.500 -13.638 15.330 1.00 25.07 H new ATOM 0 HB ILE X 150 1.267 -11.856 15.118 1.00 24.71 H new ATOM 0 HG12 ILE X 150 2.764 -12.813 12.916 1.00 22.62 H new ATOM 0 HG13 ILE X 150 1.592 -13.674 13.479 1.00 22.62 H new ATOM 0 HG21 ILE X 150 2.660 -10.286 14.010 1.00 24.69 H new ATOM 0 HG22 ILE X 150 3.173 -10.516 15.490 1.00 24.69 H new ATOM 0 HG23 ILE X 150 3.912 -11.218 14.278 1.00 24.69 H new ATOM 0 HD11 ILE X 150 0.847 -12.469 11.608 1.00 24.83 H new ATOM 0 HD12 ILE X 150 0.048 -11.980 12.885 1.00 24.83 H new ATOM 0 HD13 ILE X 150 1.238 -11.106 12.314 1.00 24.83 H new ATOM 1163 N HIS X 151 4.573 -12.484 17.226 1.00 25.41 N ATOM 1164 CA HIS X 151 5.108 -11.809 18.429 1.00 24.92 C ATOM 1165 C HIS X 151 4.632 -10.331 18.481 1.00 24.38 C ATOM 1166 O HIS X 151 4.862 -9.552 17.557 1.00 23.18 O ATOM 1167 CB HIS X 151 6.625 -11.948 18.583 1.00 25.45 C ATOM 1168 CG HIS X 151 7.186 -11.212 19.762 1.00 26.51 C ATOM 1169 ND1 HIS X 151 8.421 -10.600 19.739 1.00 30.23 N ATOM 1170 CD2 HIS X 151 6.678 -10.980 20.998 1.00 27.84 C ATOM 1171 CE1 HIS X 151 8.644 -10.009 20.901 1.00 28.24 C ATOM 1172 NE2 HIS X 151 7.598 -10.216 21.678 1.00 25.07 N ATOM 0 H HIS X 151 5.161 -12.810 16.690 1.00 25.41 H new ATOM 0 HA HIS X 151 4.741 -12.268 19.201 1.00 24.92 H new ATOM 0 HB2 HIS X 151 6.848 -12.889 18.664 1.00 25.45 H new ATOM 0 HB3 HIS X 151 7.054 -11.623 17.776 1.00 25.45 H new ATOM 0 HD2 HIS X 151 5.861 -11.281 21.325 1.00 27.84 H new ATOM 0 HE1 HIS X 151 9.407 -9.530 21.131 1.00 28.24 H new ATOM 0 HE2 HIS X 151 7.506 -9.921 22.481 1.00 25.07 H new ATOM 1173 N CYS X 152 3.909 -10.008 19.558 1.00 23.20 N ATOM 1174 CA CYS X 152 3.465 -8.651 19.878 1.00 23.96 C ATOM 1175 C CYS X 152 4.017 -8.150 21.210 1.00 23.86 C ATOM 1176 O CYS X 152 4.318 -8.969 22.103 1.00 23.79 O ATOM 1177 CB CYS X 152 1.942 -8.655 19.968 1.00 23.58 C ATOM 1178 SG CYS X 152 1.286 -8.908 18.294 1.00 23.75 S ATOM 0 H CYS X 152 3.657 -10.591 20.138 1.00 23.20 H new ATOM 0 HA CYS X 152 3.791 -8.062 19.180 1.00 23.96 H new ATOM 0 HB2 CYS X 152 1.639 -9.359 20.562 1.00 23.58 H new ATOM 0 HB3 CYS X 152 1.621 -7.817 20.335 1.00 23.58 H new ATOM 0 HG CYS X 152 1.562 -10.014 17.919 1.00 23.75 H new ATOM 1179 N ASP X 153 4.153 -6.816 21.352 1.00 24.67 N ATOM 1180 CA ASP X 153 4.424 -6.243 22.685 1.00 25.46 C ATOM 1181 C ASP X 153 3.187 -5.563 23.292 1.00 24.75 C ATOM 1182 O ASP X 153 3.158 -5.245 24.500 1.00 25.98 O ATOM 1183 CB ASP X 153 5.650 -5.320 22.670 1.00 26.45 C ATOM 1184 CG ASP X 153 5.548 -4.190 21.645 1.00 29.79 C ATOM 1185 OD1 ASP X 153 4.434 -3.821 21.201 1.00 29.72 O ATOM 1186 OD2 ASP X 153 6.604 -3.620 21.278 1.00 29.03 O ATOM 0 H ASP X 153 4.094 -6.245 20.712 1.00 24.67 H new ATOM 0 HA ASP X 153 4.639 -6.985 23.271 1.00 25.46 H new ATOM 0 HB2 ASP X 153 5.768 -4.937 23.553 1.00 26.45 H new ATOM 0 HB3 ASP X 153 6.442 -5.848 22.481 1.00 26.45 H new ATOM 1187 N VAL X 154 2.143 -5.428 22.477 1.00 23.88 N ATOM 1188 CA VAL X 154 0.840 -4.843 22.907 1.00 20.58 C ATOM 1189 C VAL X 154 -0.384 -5.757 22.563 1.00 19.61 C ATOM 1190 O VAL X 154 -0.490 -6.309 21.497 1.00 20.80 O ATOM 1191 CB VAL X 154 0.713 -3.412 22.343 1.00 19.87 C ATOM 1192 CG1 VAL X 154 -0.678 -2.833 22.476 1.00 22.08 C ATOM 1193 CG2 VAL X 154 1.838 -2.427 22.926 1.00 21.69 C ATOM 0 H VAL X 154 2.157 -5.670 21.652 1.00 23.88 H new ATOM 0 HA VAL X 154 0.829 -4.789 23.875 1.00 20.58 H new ATOM 0 HB VAL X 154 0.872 -3.493 21.390 1.00 19.87 H new ATOM 0 HG11 VAL X 154 -0.692 -1.937 22.105 1.00 22.08 H new ATOM 0 HG12 VAL X 154 -1.309 -3.392 21.995 1.00 22.08 H new ATOM 0 HG13 VAL X 154 -0.926 -2.799 23.413 1.00 22.08 H new ATOM 0 HG21 VAL X 154 1.721 -1.542 22.547 1.00 21.69 H new ATOM 0 HG22 VAL X 154 1.757 -2.378 23.891 1.00 21.69 H new ATOM 0 HG23 VAL X 154 2.717 -2.765 22.693 1.00 21.69 H new ATOM 1194 N PHE X 155 -1.268 -5.951 23.528 1.00 16.31 N ATOM 1195 CA PHE X 155 -2.382 -6.894 23.437 1.00 19.16 C ATOM 1196 C PHE X 155 -3.736 -6.182 23.571 1.00 17.89 C ATOM 1197 O PHE X 155 -3.846 -5.112 24.208 1.00 19.45 O ATOM 1198 CB PHE X 155 -2.229 -7.972 24.508 1.00 19.12 C ATOM 1199 CG PHE X 155 -1.022 -8.793 24.290 1.00 22.62 C ATOM 1200 CD1 PHE X 155 0.226 -8.342 24.725 1.00 25.38 C ATOM 1201 CD2 PHE X 155 -1.108 -9.975 23.568 1.00 23.07 C ATOM 1202 CE1 PHE X 155 1.380 -9.087 24.466 1.00 25.26 C ATOM 1203 CE2 PHE X 155 0.033 -10.722 23.293 1.00 26.31 C ATOM 1204 CZ PHE X 155 1.283 -10.270 23.745 1.00 26.73 C ATOM 0 H PHE X 155 -1.240 -5.529 24.277 1.00 16.31 H new ATOM 0 HA PHE X 155 -2.362 -7.309 22.560 1.00 19.16 H new ATOM 0 HB2 PHE X 155 -2.183 -7.555 25.383 1.00 19.12 H new ATOM 0 HB3 PHE X 155 -3.013 -8.543 24.507 1.00 19.12 H new ATOM 0 HD1 PHE X 155 0.290 -7.540 25.191 1.00 25.38 H new ATOM 0 HD2 PHE X 155 -1.936 -10.271 23.265 1.00 23.07 H new ATOM 0 HE1 PHE X 155 2.207 -8.793 24.774 1.00 25.26 H new ATOM 0 HE2 PHE X 155 -0.032 -11.516 22.813 1.00 26.31 H new ATOM 0 HZ PHE X 155 2.049 -10.765 23.561 1.00 26.73 H new ATOM 1205 N PHE X 156 -4.746 -6.769 22.936 1.00 18.75 N ATOM 1206 CA PHE X 156 -6.078 -6.309 23.103 1.00 18.11 C ATOM 1207 C PHE X 156 -6.427 -6.602 24.567 1.00 18.15 C ATOM 1208 O PHE X 156 -6.051 -7.662 25.116 1.00 20.27 O ATOM 1209 CB PHE X 156 -7.053 -7.001 22.142 1.00 18.55 C ATOM 1210 CG PHE X 156 -8.364 -6.321 22.094 1.00 17.06 C ATOM 1211 CD1 PHE X 156 -8.463 -5.060 21.512 1.00 13.83 C ATOM 1212 CD2 PHE X 156 -9.475 -6.859 22.798 1.00 16.48 C ATOM 1213 CE1 PHE X 156 -9.649 -4.338 21.481 1.00 11.88 C ATOM 1214 CE2 PHE X 156 -10.722 -6.181 22.766 1.00 15.69 C ATOM 1215 CZ PHE X 156 -10.806 -4.927 22.150 1.00 20.27 C ATOM 0 H PHE X 156 -4.660 -7.439 22.404 1.00 18.75 H new ATOM 0 HA PHE X 156 -6.152 -5.364 22.897 1.00 18.11 H new ATOM 0 HB2 PHE X 156 -6.668 -7.021 21.252 1.00 18.55 H new ATOM 0 HB3 PHE X 156 -7.178 -7.922 22.418 1.00 18.55 H new ATOM 0 HD1 PHE X 156 -7.703 -4.686 21.128 1.00 13.83 H new ATOM 0 HD2 PHE X 156 -9.386 -7.651 23.277 1.00 16.48 H new ATOM 0 HE1 PHE X 156 -9.704 -3.514 21.052 1.00 11.88 H new ATOM 0 HE2 PHE X 156 -11.476 -6.566 23.151 1.00 15.69 H new ATOM 0 HZ PHE X 156 -11.611 -4.462 22.167 1.00 20.27 H new ATOM 1216 N PRO X 157 -7.105 -5.666 25.196 1.00 18.78 N ATOM 1217 CA PRO X 157 -7.244 -5.759 26.683 1.00 20.08 C ATOM 1218 C PRO X 157 -8.304 -6.712 27.270 1.00 20.90 C ATOM 1219 O PRO X 157 -8.357 -6.920 28.519 1.00 21.09 O ATOM 1220 CB PRO X 157 -7.482 -4.304 27.056 1.00 20.56 C ATOM 1221 CG PRO X 157 -8.249 -3.783 25.951 1.00 20.57 C ATOM 1222 CD PRO X 157 -7.692 -4.411 24.680 1.00 17.97 C ATOM 0 HA PRO X 157 -6.458 -6.178 27.068 1.00 20.08 H new ATOM 0 HB2 PRO X 157 -7.966 -4.226 27.893 1.00 20.56 H new ATOM 0 HB3 PRO X 157 -6.646 -3.824 27.166 1.00 20.56 H new ATOM 0 HG2 PRO X 157 -9.189 -3.998 26.055 1.00 20.57 H new ATOM 0 HG3 PRO X 157 -8.181 -2.816 25.913 1.00 20.57 H new ATOM 0 HD2 PRO X 157 -8.385 -4.577 24.022 1.00 17.97 H new ATOM 0 HD3 PRO X 157 -7.028 -3.846 24.256 1.00 17.97 H new ATOM 1223 N LEU X 158 -9.124 -7.322 26.406 1.00 20.72 N ATOM 1224 CA LEU X 158 -10.304 -8.090 26.845 1.00 21.48 C ATOM 1225 C LEU X 158 -10.586 -9.217 25.856 1.00 21.60 C ATOM 1226 O LEU X 158 -10.693 -8.957 24.633 1.00 21.80 O ATOM 1227 CB LEU X 158 -11.499 -7.150 26.945 1.00 22.37 C ATOM 1228 CG LEU X 158 -12.583 -7.762 27.836 1.00 22.88 C ATOM 1229 CD1 LEU X 158 -13.238 -6.601 28.664 1.00 25.75 C ATOM 1230 CD2 LEU X 158 -13.607 -8.550 27.096 1.00 21.82 C ATOM 0 H LEU X 158 -9.015 -7.304 25.553 1.00 20.72 H new ATOM 0 HA LEU X 158 -10.137 -8.484 27.715 1.00 21.48 H new ATOM 0 HB2 LEU X 158 -11.217 -6.296 27.308 1.00 22.37 H new ATOM 0 HB3 LEU X 158 -11.858 -6.978 26.060 1.00 22.37 H new ATOM 0 HG LEU X 158 -12.161 -8.410 28.422 1.00 22.88 H new ATOM 0 HD11 LEU X 158 -13.930 -6.964 29.238 1.00 25.75 H new ATOM 0 HD12 LEU X 158 -12.561 -6.169 29.208 1.00 25.75 H new ATOM 0 HD13 LEU X 158 -13.628 -5.952 28.058 1.00 25.75 H new ATOM 0 HD21 LEU X 158 -14.257 -8.905 27.722 1.00 21.82 H new ATOM 0 HD22 LEU X 158 -14.056 -7.977 26.455 1.00 21.82 H new ATOM 0 HD23 LEU X 158 -13.176 -9.282 26.628 1.00 21.82 H new ATOM 1231 N LYS X 159 -10.578 -10.461 26.362 1.00 20.25 N ATOM 1232 CA LYS X 159 -10.626 -11.684 25.568 1.00 20.88 C ATOM 1233 C LYS X 159 -12.067 -11.975 25.137 1.00 20.60 C ATOM 1234 O LYS X 159 -12.669 -12.988 25.510 1.00 22.37 O ATOM 1235 CB LYS X 159 -9.968 -12.872 26.309 1.00 18.75 C ATOM 1236 CG LYS X 159 -8.575 -12.573 26.765 1.00 21.13 C ATOM 1237 CD LYS X 159 -7.943 -13.867 27.358 1.00 24.37 C ATOM 1238 CE LYS X 159 -6.891 -14.431 26.414 1.00 30.45 C ATOM 1239 NZ LYS X 159 -5.886 -15.237 27.201 1.00 32.36 N ATOM 0 H LYS X 159 -10.543 -10.613 27.208 1.00 20.25 H new ATOM 0 HA LYS X 159 -10.102 -11.554 24.762 1.00 20.88 H new ATOM 0 HB2 LYS X 159 -10.511 -13.109 27.077 1.00 18.75 H new ATOM 0 HB3 LYS X 159 -9.953 -13.645 25.723 1.00 18.75 H new ATOM 0 HG2 LYS X 159 -8.042 -12.251 26.022 1.00 21.13 H new ATOM 0 HG3 LYS X 159 -8.585 -11.870 27.433 1.00 21.13 H new ATOM 0 HD2 LYS X 159 -7.541 -13.671 28.219 1.00 24.37 H new ATOM 0 HD3 LYS X 159 -8.635 -14.529 27.512 1.00 24.37 H new ATOM 0 HE2 LYS X 159 -7.312 -14.989 25.742 1.00 30.45 H new ATOM 0 HE3 LYS X 159 -6.444 -13.709 25.944 1.00 30.45 H new ATOM 0 HZ1 LYS X 159 -5.271 -15.566 26.648 1.00 32.36 H new ATOM 0 HZ2 LYS X 159 -5.492 -14.714 27.804 1.00 32.36 H new ATOM 0 HZ3 LYS X 159 -6.301 -15.906 27.615 1.00 32.36 H new ATOM 1240 N PHE X 160 -12.601 -11.028 24.362 1.00 21.09 N ATOM 1241 CA PHE X 160 -14.006 -10.942 24.053 1.00 18.89 C ATOM 1242 C PHE X 160 -14.467 -12.170 23.273 1.00 20.40 C ATOM 1243 O PHE X 160 -15.652 -12.429 23.238 1.00 20.21 O ATOM 1244 CB PHE X 160 -14.357 -9.617 23.341 1.00 17.59 C ATOM 1245 CG PHE X 160 -13.726 -9.473 21.908 1.00 13.05 C ATOM 1246 CD1 PHE X 160 -12.507 -8.815 21.773 1.00 8.71 C ATOM 1247 CD2 PHE X 160 -14.375 -9.914 20.816 1.00 14.52 C ATOM 1248 CE1 PHE X 160 -11.880 -8.669 20.544 1.00 14.71 C ATOM 1249 CE2 PHE X 160 -13.724 -9.745 19.519 1.00 12.61 C ATOM 1250 CZ PHE X 160 -12.490 -9.106 19.489 1.00 12.28 C ATOM 0 H PHE X 160 -12.133 -10.406 23.997 1.00 21.09 H new ATOM 0 HA PHE X 160 -14.498 -10.935 24.889 1.00 18.89 H new ATOM 0 HB2 PHE X 160 -15.322 -9.546 23.268 1.00 17.59 H new ATOM 0 HB3 PHE X 160 -14.059 -8.876 23.891 1.00 17.59 H new ATOM 0 HD1 PHE X 160 -12.100 -8.462 22.531 1.00 8.71 H new ATOM 0 HD2 PHE X 160 -15.212 -10.314 20.884 1.00 14.52 H new ATOM 0 HE1 PHE X 160 -11.043 -8.268 20.480 1.00 14.71 H new ATOM 0 HE2 PHE X 160 -14.123 -10.055 18.738 1.00 12.61 H new ATOM 0 HZ PHE X 160 -12.079 -8.985 18.664 1.00 12.28 H new ATOM 1251 N ARG X 161 -13.546 -12.869 22.572 1.00 20.49 N ATOM 1252 CA ARG X 161 -13.940 -14.040 21.781 1.00 21.52 C ATOM 1253 C ARG X 161 -13.859 -15.390 22.512 1.00 21.85 C ATOM 1254 O ARG X 161 -14.218 -16.468 21.899 1.00 21.41 O ATOM 1255 CB ARG X 161 -13.156 -14.105 20.461 1.00 20.38 C ATOM 1256 CG ARG X 161 -12.583 -12.806 19.967 1.00 24.19 C ATOM 1257 CD ARG X 161 -11.607 -13.067 18.781 1.00 23.06 C ATOM 1258 NE ARG X 161 -12.197 -13.852 17.695 1.00 26.54 N ATOM 1259 CZ ARG X 161 -11.810 -15.058 17.282 1.00 26.54 C ATOM 1260 NH1 ARG X 161 -10.811 -15.716 17.887 1.00 23.66 N ATOM 1261 NH2 ARG X 161 -12.458 -15.638 16.265 1.00 22.85 N ATOM 0 H ARG X 161 -12.707 -12.680 22.546 1.00 20.49 H new ATOM 0 HA ARG X 161 -14.884 -13.901 21.604 1.00 21.52 H new ATOM 0 HB2 ARG X 161 -12.429 -14.738 20.569 1.00 20.38 H new ATOM 0 HB3 ARG X 161 -13.742 -14.461 19.775 1.00 20.38 H new ATOM 0 HG2 ARG X 161 -13.299 -12.216 19.682 1.00 24.19 H new ATOM 0 HG3 ARG X 161 -12.115 -12.356 20.688 1.00 24.19 H new ATOM 0 HD2 ARG X 161 -11.306 -12.216 18.427 1.00 23.06 H new ATOM 0 HD3 ARG X 161 -10.822 -13.529 19.114 1.00 23.06 H new ATOM 0 HE ARG X 161 -12.862 -13.498 17.281 1.00 26.54 H new ATOM 0 HH11 ARG X 161 -10.405 -15.360 18.557 1.00 23.66 H new ATOM 0 HH12 ARG X 161 -10.576 -16.494 17.605 1.00 23.66 H new ATOM 0 HH21 ARG X 161 -13.115 -15.232 15.887 1.00 22.85 H new ATOM 0 HH22 ARG X 161 -12.217 -16.416 15.990 1.00 22.85 H new ATOM 1262 N ASP X 162 -13.436 -15.335 23.790 1.00 21.92 N ATOM 1263 CA ASP X 162 -13.256 -16.519 24.682 1.00 23.06 C ATOM 1264 C ASP X 162 -14.569 -16.878 25.395 1.00 22.16 C ATOM 1265 O ASP X 162 -15.468 -16.058 25.541 1.00 20.23 O ATOM 1266 CB ASP X 162 -12.170 -16.294 25.777 1.00 23.74 C ATOM 1267 CG ASP X 162 -10.709 -16.326 25.224 1.00 26.58 C ATOM 1268 OD1 ASP X 162 -10.494 -16.196 24.009 1.00 21.15 O ATOM 1269 OD2 ASP X 162 -9.747 -16.476 26.020 1.00 31.34 O ATOM 0 H ASP X 162 -13.240 -14.592 24.177 1.00 21.92 H new ATOM 0 HA ASP X 162 -12.971 -17.240 24.099 1.00 23.06 H new ATOM 0 HB2 ASP X 162 -12.327 -15.438 26.206 1.00 23.74 H new ATOM 0 HB3 ASP X 162 -12.264 -16.976 26.460 1.00 23.74 H new ATOM 1270 N LYS X 163 -14.644 -18.131 25.843 1.00 22.32 N ATOM 1271 CA LYS X 163 -15.847 -18.668 26.496 1.00 22.08 C ATOM 1272 C LYS X 163 -16.383 -17.737 27.566 1.00 21.25 C ATOM 1273 O LYS X 163 -17.573 -17.486 27.598 1.00 19.71 O ATOM 1274 CB LYS X 163 -15.535 -20.009 27.135 1.00 21.68 C ATOM 1275 CG LYS X 163 -16.756 -20.777 27.526 1.00 22.91 C ATOM 1276 CD LYS X 163 -16.313 -22.086 28.160 1.00 25.91 C ATOM 1277 CE LYS X 163 -17.270 -22.443 29.316 1.00 24.06 C ATOM 1278 NZ LYS X 163 -16.905 -23.815 29.871 1.00 24.96 N ATOM 0 H LYS X 163 -14.000 -18.697 25.778 1.00 22.32 H new ATOM 0 HA LYS X 163 -16.523 -18.765 25.807 1.00 22.08 H new ATOM 0 HB2 LYS X 163 -15.011 -20.541 26.516 1.00 21.68 H new ATOM 0 HB3 LYS X 163 -14.986 -19.865 27.921 1.00 21.68 H new ATOM 0 HG2 LYS X 163 -17.293 -20.264 28.150 1.00 22.91 H new ATOM 0 HG3 LYS X 163 -17.311 -20.948 26.749 1.00 22.91 H new ATOM 0 HD2 LYS X 163 -16.312 -22.794 27.497 1.00 25.91 H new ATOM 0 HD3 LYS X 163 -15.405 -22.006 28.491 1.00 25.91 H new ATOM 0 HE2 LYS X 163 -17.211 -21.774 30.016 1.00 24.06 H new ATOM 0 HE3 LYS X 163 -18.187 -22.444 29.001 1.00 24.06 H new ATOM 0 HZ1 LYS X 163 -17.457 -24.022 30.538 1.00 24.96 H new ATOM 0 HZ2 LYS X 163 -16.977 -24.425 29.227 1.00 24.96 H new ATOM 0 HZ3 LYS X 163 -16.068 -23.800 30.173 1.00 24.96 H new ATOM 1279 N GLU X 164 -15.482 -17.217 28.401 1.00 21.98 N ATOM 1280 CA GLU X 164 -15.847 -16.419 29.597 1.00 22.01 C ATOM 1281 C GLU X 164 -16.734 -15.215 29.235 1.00 20.92 C ATOM 1282 O GLU X 164 -17.550 -14.832 30.019 1.00 20.38 O ATOM 1283 CB GLU X 164 -14.597 -15.928 30.351 1.00 23.37 C ATOM 1284 CG GLU X 164 -13.420 -15.501 29.400 1.00 28.82 C ATOM 1285 CD GLU X 164 -12.258 -14.804 30.116 1.00 31.04 C ATOM 1286 OE1 GLU X 164 -11.181 -14.609 29.508 1.00 34.88 O ATOM 1287 OE2 GLU X 164 -12.416 -14.427 31.297 1.00 34.21 O ATOM 0 H GLU X 164 -14.634 -17.313 28.296 1.00 21.98 H new ATOM 0 HA GLU X 164 -16.352 -17.010 30.177 1.00 22.01 H new ATOM 0 HB2 GLU X 164 -14.841 -15.174 30.911 1.00 23.37 H new ATOM 0 HB3 GLU X 164 -14.287 -16.632 30.942 1.00 23.37 H new ATOM 0 HG2 GLU X 164 -13.082 -16.289 28.946 1.00 28.82 H new ATOM 0 HG3 GLU X 164 -13.768 -14.908 28.716 1.00 28.82 H new ATOM 1288 N TRP X 165 -16.598 -14.692 28.015 1.00 19.10 N ATOM 1289 CA TRP X 165 -17.289 -13.492 27.526 1.00 18.75 C ATOM 1290 C TRP X 165 -18.304 -13.773 26.380 1.00 19.30 C ATOM 1291 O TRP X 165 -18.955 -12.843 25.853 1.00 19.54 O ATOM 1292 CB TRP X 165 -16.246 -12.499 27.017 1.00 19.70 C ATOM 1293 CG TRP X 165 -15.465 -11.826 28.052 1.00 20.38 C ATOM 1294 CD1 TRP X 165 -14.152 -12.008 28.350 1.00 22.91 C ATOM 1295 CD2 TRP X 165 -15.970 -10.862 28.990 1.00 23.95 C ATOM 1296 NE1 TRP X 165 -13.787 -11.178 29.370 1.00 23.75 N ATOM 1297 CE2 TRP X 165 -14.889 -10.470 29.796 1.00 26.32 C ATOM 1298 CE3 TRP X 165 -17.225 -10.259 29.182 1.00 24.76 C ATOM 1299 CZ2 TRP X 165 -15.035 -9.535 30.841 1.00 26.33 C ATOM 1300 CZ3 TRP X 165 -17.374 -9.305 30.199 1.00 28.50 C ATOM 1301 CH2 TRP X 165 -16.286 -8.950 31.007 1.00 27.70 C ATOM 0 H TRP X 165 -16.079 -15.040 27.424 1.00 19.10 H new ATOM 0 HA TRP X 165 -17.797 -13.139 28.273 1.00 18.75 H new ATOM 0 HB2 TRP X 165 -15.636 -12.968 26.426 1.00 19.70 H new ATOM 0 HB3 TRP X 165 -16.696 -11.826 26.483 1.00 19.70 H new ATOM 0 HD1 TRP X 165 -13.586 -12.609 27.922 1.00 22.91 H new ATOM 0 HE1 TRP X 165 -12.994 -11.108 29.695 1.00 23.75 H new ATOM 0 HE3 TRP X 165 -17.946 -10.489 28.642 1.00 24.76 H new ATOM 0 HZ2 TRP X 165 -14.322 -9.318 31.398 1.00 26.33 H new ATOM 0 HZ3 TRP X 165 -18.202 -8.905 30.338 1.00 28.50 H new ATOM 0 HH2 TRP X 165 -16.403 -8.308 31.670 1.00 27.70 H new ATOM 1302 N SER X 166 -18.427 -15.042 25.998 1.00 18.40 N ATOM 1303 CA SER X 166 -19.479 -15.522 25.103 1.00 18.96 C ATOM 1304 C SER X 166 -20.976 -15.255 25.468 1.00 19.26 C ATOM 1305 O SER X 166 -21.780 -15.341 24.572 1.00 21.51 O ATOM 1306 CB SER X 166 -19.273 -17.022 24.799 1.00 20.06 C ATOM 1307 OG SER X 166 -19.567 -17.817 25.923 1.00 15.37 O ATOM 0 H SER X 166 -17.890 -15.662 26.257 1.00 18.40 H new ATOM 0 HA SER X 166 -19.354 -14.956 24.325 1.00 18.96 H new ATOM 0 HB2 SER X 166 -19.840 -17.285 24.057 1.00 20.06 H new ATOM 0 HB3 SER X 166 -18.356 -17.175 24.523 1.00 20.06 H new ATOM 0 HG SER X 166 -18.994 -17.679 26.521 1.00 15.37 H new ATOM 1308 N SER X 167 -21.390 -15.045 26.734 1.00 19.07 N ATOM 1309 CA SER X 167 -22.818 -14.640 26.904 1.00 18.54 C ATOM 1310 C SER X 167 -23.015 -13.126 26.798 1.00 18.68 C ATOM 1311 O SER X 167 -24.177 -12.637 26.801 1.00 20.49 O ATOM 1312 CB SER X 167 -23.393 -15.108 28.245 1.00 18.97 C ATOM 1313 OG SER X 167 -22.801 -14.312 29.177 1.00 20.39 O ATOM 0 H SER X 167 -20.918 -15.120 27.449 1.00 19.07 H new ATOM 0 HA SER X 167 -23.292 -15.073 26.177 1.00 18.54 H new ATOM 0 HB2 SER X 167 -24.358 -15.015 28.265 1.00 18.97 H new ATOM 0 HB3 SER X 167 -23.195 -16.044 28.405 1.00 18.97 H new ATOM 0 HG SER X 167 -21.968 -14.325 29.069 1.00 20.39 H new ATOM 1314 N VAL X 168 -21.903 -12.387 26.767 1.00 18.84 N ATOM 1315 CA VAL X 168 -21.939 -10.901 26.651 1.00 18.04 C ATOM 1316 C VAL X 168 -21.648 -10.565 25.216 1.00 18.13 C ATOM 1317 O VAL X 168 -22.360 -9.777 24.605 1.00 19.21 O ATOM 1318 CB VAL X 168 -20.846 -10.199 27.509 1.00 19.42 C ATOM 1319 CG1 VAL X 168 -20.666 -8.661 27.162 1.00 20.28 C ATOM 1320 CG2 VAL X 168 -21.131 -10.384 28.969 1.00 22.28 C ATOM 0 H VAL X 168 -21.110 -12.717 26.811 1.00 18.84 H new ATOM 0 HA VAL X 168 -22.807 -10.597 26.959 1.00 18.04 H new ATOM 0 HB VAL X 168 -20.004 -10.626 27.288 1.00 19.42 H new ATOM 0 HG11 VAL X 168 -19.975 -8.280 27.726 1.00 20.28 H new ATOM 0 HG12 VAL X 168 -20.411 -8.567 26.231 1.00 20.28 H new ATOM 0 HG13 VAL X 168 -21.502 -8.194 27.316 1.00 20.28 H new ATOM 0 HG21 VAL X 168 -20.443 -9.942 29.492 1.00 22.28 H new ATOM 0 HG22 VAL X 168 -21.995 -9.999 29.181 1.00 22.28 H new ATOM 0 HG23 VAL X 168 -21.139 -11.331 29.180 1.00 22.28 H new ATOM 1321 N TRP X 169 -20.540 -11.077 24.710 1.00 18.86 N ATOM 1322 CA TRP X 169 -20.192 -10.793 23.329 1.00 17.55 C ATOM 1323 C TRP X 169 -20.627 -11.929 22.383 1.00 19.38 C ATOM 1324 O TRP X 169 -20.345 -13.120 22.673 1.00 19.88 O ATOM 1325 CB TRP X 169 -18.683 -10.504 23.212 1.00 19.34 C ATOM 1326 CG TRP X 169 -18.289 -9.112 23.669 1.00 17.58 C ATOM 1327 CD1 TRP X 169 -17.765 -8.765 24.927 1.00 17.16 C ATOM 1328 CD2 TRP X 169 -18.503 -7.859 22.977 1.00 16.23 C ATOM 1329 NE1 TRP X 169 -17.631 -7.392 25.011 1.00 16.52 N ATOM 1330 CE2 TRP X 169 -18.034 -6.825 23.821 1.00 19.87 C ATOM 1331 CE3 TRP X 169 -18.968 -7.514 21.685 1.00 14.18 C ATOM 1332 CZ2 TRP X 169 -18.073 -5.451 23.439 1.00 20.17 C ATOM 1333 CZ3 TRP X 169 -19.062 -6.172 21.358 1.00 12.05 C ATOM 1334 CH2 TRP X 169 -18.571 -5.155 22.191 1.00 16.58 C ATOM 0 H TRP X 169 -19.987 -11.579 25.136 1.00 18.86 H new ATOM 0 HA TRP X 169 -20.678 -10.001 23.051 1.00 17.55 H new ATOM 0 HB2 TRP X 169 -18.195 -11.158 23.737 1.00 19.34 H new ATOM 0 HB3 TRP X 169 -18.410 -10.621 22.289 1.00 19.34 H new ATOM 0 HD1 TRP X 169 -17.543 -9.367 25.600 1.00 17.16 H new ATOM 0 HE1 TRP X 169 -17.342 -6.960 25.696 1.00 16.52 H new ATOM 0 HE3 TRP X 169 -19.204 -8.172 21.072 1.00 14.18 H new ATOM 0 HZ2 TRP X 169 -17.774 -4.782 24.011 1.00 20.17 H new ATOM 0 HZ3 TRP X 169 -19.466 -5.935 20.555 1.00 12.05 H new ATOM 0 HH2 TRP X 169 -18.582 -4.273 21.897 1.00 16.58 H new ATOM 1335 N LYS X 170 -21.269 -11.565 21.254 1.00 19.86 N ATOM 1336 CA LYS X 170 -21.821 -12.502 20.283 1.00 20.67 C ATOM 1337 C LYS X 170 -21.325 -12.174 18.861 1.00 20.71 C ATOM 1338 O LYS X 170 -21.412 -11.030 18.413 1.00 21.96 O ATOM 1339 CB LYS X 170 -23.356 -12.401 20.278 1.00 21.02 C ATOM 1340 CG LYS X 170 -24.041 -12.559 21.683 1.00 23.07 C ATOM 1341 CD LYS X 170 -24.198 -14.045 22.025 1.00 21.19 C ATOM 1342 CE LYS X 170 -24.890 -14.259 23.408 1.00 18.32 C ATOM 1343 NZ LYS X 170 -24.360 -15.554 23.879 1.00 26.68 N ATOM 0 H LYS X 170 -21.393 -10.742 21.037 1.00 19.86 H new ATOM 0 HA LYS X 170 -21.533 -13.394 20.534 1.00 20.67 H new ATOM 0 HB2 LYS X 170 -23.608 -11.541 19.906 1.00 21.02 H new ATOM 0 HB3 LYS X 170 -23.709 -13.082 19.684 1.00 21.02 H new ATOM 0 HG2 LYS X 170 -23.508 -12.117 22.363 1.00 23.07 H new ATOM 0 HG3 LYS X 170 -24.909 -12.127 21.678 1.00 23.07 H new ATOM 0 HD2 LYS X 170 -24.719 -14.482 21.333 1.00 21.19 H new ATOM 0 HD3 LYS X 170 -23.325 -14.468 22.032 1.00 21.19 H new ATOM 0 HE2 LYS X 170 -24.677 -13.542 24.026 1.00 18.32 H new ATOM 0 HE3 LYS X 170 -25.856 -14.281 23.322 1.00 18.32 H new ATOM 0 HZ1 LYS X 170 -24.655 -15.714 24.703 1.00 26.68 H new ATOM 0 HZ2 LYS X 170 -24.634 -16.203 23.335 1.00 26.68 H new ATOM 0 HZ3 LYS X 170 -23.470 -15.527 23.883 1.00 26.68 H new ATOM 1344 N LYS X 171 -20.822 -13.184 18.180 1.00 19.03 N ATOM 1345 CA LYS X 171 -20.435 -13.049 16.775 1.00 19.54 C ATOM 1346 C LYS X 171 -21.656 -13.116 15.870 1.00 19.88 C ATOM 1347 O LYS X 171 -22.446 -14.098 15.926 1.00 20.33 O ATOM 1348 CB LYS X 171 -19.329 -14.067 16.416 1.00 17.94 C ATOM 1349 CG LYS X 171 -18.918 -14.137 14.896 1.00 16.68 C ATOM 1350 CD LYS X 171 -18.179 -15.471 14.711 1.00 20.95 C ATOM 1351 CE LYS X 171 -17.547 -15.611 13.258 1.00 27.13 C ATOM 1352 NZ LYS X 171 -16.218 -16.385 13.360 1.00 31.45 N ATOM 0 H LYS X 171 -20.692 -13.968 18.510 1.00 19.03 H new ATOM 0 HA LYS X 171 -20.047 -12.172 16.628 1.00 19.54 H new ATOM 0 HB2 LYS X 171 -18.538 -13.855 16.937 1.00 17.94 H new ATOM 0 HB3 LYS X 171 -19.624 -14.949 16.694 1.00 17.94 H new ATOM 0 HG2 LYS X 171 -19.700 -14.092 14.324 1.00 16.68 H new ATOM 0 HG3 LYS X 171 -18.348 -13.389 14.657 1.00 16.68 H new ATOM 0 HD2 LYS X 171 -17.477 -15.545 15.376 1.00 20.95 H new ATOM 0 HD3 LYS X 171 -18.795 -16.204 14.866 1.00 20.95 H new ATOM 0 HE2 LYS X 171 -18.161 -16.077 12.669 1.00 27.13 H new ATOM 0 HE3 LYS X 171 -17.395 -14.734 12.873 1.00 27.13 H new ATOM 0 HZ1 LYS X 171 -15.977 -16.669 12.552 1.00 31.45 H new ATOM 0 HZ2 LYS X 171 -15.587 -15.850 13.687 1.00 31.45 H new ATOM 0 HZ3 LYS X 171 -16.322 -17.084 13.900 1.00 31.45 H new ATOM 1353 N GLU X 172 -21.769 -12.112 14.989 1.00 20.19 N ATOM 1354 CA GLU X 172 -22.927 -11.922 14.132 1.00 20.63 C ATOM 1355 C GLU X 172 -22.661 -12.636 12.847 1.00 22.46 C ATOM 1356 O GLU X 172 -21.510 -12.799 12.494 1.00 21.37 O ATOM 1357 CB GLU X 172 -23.147 -10.454 13.787 1.00 20.49 C ATOM 1358 CG GLU X 172 -23.434 -9.609 14.975 1.00 22.16 C ATOM 1359 CD GLU X 172 -24.669 -10.041 15.669 1.00 27.38 C ATOM 1360 OE1 GLU X 172 -25.574 -10.563 14.983 1.00 29.08 O ATOM 1361 OE2 GLU X 172 -24.731 -9.883 16.903 1.00 28.95 O ATOM 0 H GLU X 172 -21.159 -11.516 14.878 1.00 20.19 H new ATOM 0 HA GLU X 172 -23.709 -12.256 14.599 1.00 20.63 H new ATOM 0 HB2 GLU X 172 -22.359 -10.112 13.337 1.00 20.49 H new ATOM 0 HB3 GLU X 172 -23.884 -10.382 13.161 1.00 20.49 H new ATOM 0 HG2 GLU X 172 -22.685 -9.650 15.590 1.00 22.16 H new ATOM 0 HG3 GLU X 172 -23.524 -8.683 14.700 1.00 22.16 H new ATOM 1362 N LYS X 173 -23.738 -13.101 12.207 1.00 23.34 N ATOM 1363 CA LYS X 173 -23.696 -13.727 10.896 1.00 25.83 C ATOM 1364 C LYS X 173 -22.944 -12.834 9.967 1.00 26.07 C ATOM 1365 O LYS X 173 -22.974 -11.617 10.130 1.00 27.23 O ATOM 1366 CB LYS X 173 -25.137 -13.890 10.365 1.00 26.81 C ATOM 1367 CG LYS X 173 -26.004 -14.938 11.119 1.00 29.01 C ATOM 1368 CD LYS X 173 -27.210 -15.416 10.252 1.00 29.79 C ATOM 1369 CE LYS X 173 -26.818 -15.677 8.751 1.00 31.03 C ATOM 1370 NZ LYS X 173 -25.782 -16.805 8.595 1.00 30.34 N ATOM 0 H LYS X 173 -24.531 -13.057 12.538 1.00 23.34 H new ATOM 0 HA LYS X 173 -23.266 -14.594 10.957 1.00 25.83 H new ATOM 0 HB2 LYS X 173 -25.583 -13.030 10.410 1.00 26.81 H new ATOM 0 HB3 LYS X 173 -25.095 -14.139 9.428 1.00 26.81 H new ATOM 0 HG2 LYS X 173 -25.455 -15.701 11.359 1.00 29.01 H new ATOM 0 HG3 LYS X 173 -26.332 -14.553 11.947 1.00 29.01 H new ATOM 0 HD2 LYS X 173 -27.574 -16.230 10.633 1.00 29.79 H new ATOM 0 HD3 LYS X 173 -27.913 -14.748 10.287 1.00 29.79 H new ATOM 0 HE2 LYS X 173 -27.615 -15.903 8.247 1.00 31.03 H new ATOM 0 HE3 LYS X 173 -26.462 -14.861 8.367 1.00 31.03 H new ATOM 0 HZ1 LYS X 173 -25.592 -16.916 7.733 1.00 30.34 H new ATOM 0 HZ2 LYS X 173 -25.040 -16.590 9.037 1.00 30.34 H new ATOM 0 HZ3 LYS X 173 -26.115 -17.562 8.925 1.00 30.34 H new ATOM 1371 N HIS X 174 -22.318 -13.394 8.943 1.00 26.21 N ATOM 1372 CA HIS X 174 -21.637 -12.553 7.996 1.00 26.35 C ATOM 1373 C HIS X 174 -22.572 -11.620 7.212 1.00 27.21 C ATOM 1374 O HIS X 174 -22.210 -10.494 6.849 1.00 26.70 O ATOM 1375 CB HIS X 174 -20.865 -13.391 7.005 1.00 27.11 C ATOM 1376 CG HIS X 174 -19.934 -12.574 6.173 1.00 28.35 C ATOM 1377 ND1 HIS X 174 -18.844 -11.923 6.712 1.00 28.01 N ATOM 1378 CD2 HIS X 174 -19.939 -12.271 4.854 1.00 26.56 C ATOM 1379 CE1 HIS X 174 -18.209 -11.273 5.759 1.00 30.85 C ATOM 1380 NE2 HIS X 174 -18.849 -11.477 4.622 1.00 28.34 N ATOM 0 H HIS X 174 -22.279 -14.239 8.786 1.00 26.21 H new ATOM 0 HA HIS X 174 -21.042 -11.999 8.525 1.00 26.35 H new ATOM 0 HB2 HIS X 174 -20.359 -14.068 7.482 1.00 27.11 H new ATOM 0 HB3 HIS X 174 -21.487 -13.858 6.426 1.00 27.11 H new ATOM 0 HD2 HIS X 174 -20.565 -12.550 4.225 1.00 26.56 H new ATOM 0 HE1 HIS X 174 -17.442 -10.759 5.868 1.00 30.85 H new ATOM 0 HE2 HIS X 174 -18.617 -11.161 3.857 1.00 28.34 H new ATOM 1381 N SER X 175 -23.777 -12.112 6.966 1.00 26.82 N ATOM 1382 CA SER X 175 -24.851 -11.300 6.374 1.00 27.83 C ATOM 1383 C SER X 175 -25.193 -10.030 7.168 1.00 27.75 C ATOM 1384 O SER X 175 -25.440 -8.955 6.601 1.00 28.30 O ATOM 1385 CB SER X 175 -26.094 -12.184 6.118 1.00 26.79 C ATOM 1386 OG SER X 175 -26.727 -12.606 7.320 1.00 28.11 O ATOM 0 H SER X 175 -24.003 -12.924 7.134 1.00 26.82 H new ATOM 0 HA SER X 175 -24.518 -10.966 5.526 1.00 27.83 H new ATOM 0 HB2 SER X 175 -26.731 -11.691 5.578 1.00 26.79 H new ATOM 0 HB3 SER X 175 -25.831 -12.964 5.605 1.00 26.79 H new ATOM 0 HG SER X 175 -27.395 -13.080 7.134 1.00 28.11 H new ATOM 1387 N ASP X 176 -25.214 -10.133 8.491 1.00 27.34 N ATOM 1388 CA ASP X 176 -25.414 -8.935 9.303 1.00 26.98 C ATOM 1389 C ASP X 176 -24.212 -8.006 9.338 1.00 26.34 C ATOM 1390 O ASP X 176 -24.389 -6.792 9.426 1.00 25.51 O ATOM 1391 CB ASP X 176 -25.952 -9.292 10.699 1.00 26.95 C ATOM 1392 CG ASP X 176 -27.248 -10.085 10.612 1.00 30.00 C ATOM 1393 OD1 ASP X 176 -28.088 -9.749 9.721 1.00 33.77 O ATOM 1394 OD2 ASP X 176 -27.413 -11.052 11.377 1.00 30.98 O ATOM 0 H ASP X 176 -25.117 -10.866 8.931 1.00 27.34 H new ATOM 0 HA ASP X 176 -26.100 -8.412 8.858 1.00 26.98 H new ATOM 0 HB2 ASP X 176 -25.287 -9.809 11.181 1.00 26.95 H new ATOM 0 HB3 ASP X 176 -26.102 -8.479 11.207 1.00 26.95 H new ATOM 1395 N LEU X 177 -23.013 -8.563 9.204 1.00 26.69 N ATOM 1396 CA LEU X 177 -21.791 -7.764 8.975 1.00 27.99 C ATOM 1397 C LEU X 177 -21.871 -6.896 7.719 1.00 27.91 C ATOM 1398 O LEU X 177 -21.684 -5.678 7.802 1.00 27.06 O ATOM 1399 CB LEU X 177 -20.534 -8.639 8.960 1.00 27.41 C ATOM 1400 CG LEU X 177 -19.153 -7.976 9.105 1.00 27.43 C ATOM 1401 CD1 LEU X 177 -18.141 -9.036 9.543 1.00 29.37 C ATOM 1402 CD2 LEU X 177 -18.665 -7.275 7.837 1.00 31.11 C ATOM 0 H LEU X 177 -22.876 -9.411 9.242 1.00 26.69 H new ATOM 0 HA LEU X 177 -21.726 -7.157 9.729 1.00 27.99 H new ATOM 0 HB2 LEU X 177 -20.622 -9.288 9.675 1.00 27.41 H new ATOM 0 HB3 LEU X 177 -20.533 -9.134 8.126 1.00 27.41 H new ATOM 0 HG LEU X 177 -19.240 -7.278 9.773 1.00 27.43 H new ATOM 0 HD11 LEU X 177 -17.266 -8.629 9.638 1.00 29.37 H new ATOM 0 HD12 LEU X 177 -18.415 -9.414 10.393 1.00 29.37 H new ATOM 0 HD13 LEU X 177 -18.099 -9.739 8.876 1.00 29.37 H new ATOM 0 HD21 LEU X 177 -17.793 -6.882 8.000 1.00 31.11 H new ATOM 0 HD22 LEU X 177 -18.599 -7.920 7.116 1.00 31.11 H new ATOM 0 HD23 LEU X 177 -19.293 -6.578 7.590 1.00 31.11 H new ATOM 1403 N GLU X 178 -22.149 -7.521 6.567 1.00 30.03 N ATOM 1404 CA GLU X 178 -22.325 -6.810 5.303 1.00 30.11 C ATOM 1405 C GLU X 178 -23.439 -5.762 5.356 1.00 30.52 C ATOM 1406 O GLU X 178 -23.233 -4.627 4.932 1.00 31.23 O ATOM 1407 CB GLU X 178 -22.541 -7.766 4.120 1.00 30.45 C ATOM 1408 CG GLU X 178 -21.345 -8.595 3.781 1.00 33.09 C ATOM 1409 CD GLU X 178 -21.696 -9.709 2.835 1.00 38.44 C ATOM 1410 OE1 GLU X 178 -20.783 -10.140 2.117 1.00 38.08 O ATOM 1411 OE2 GLU X 178 -22.884 -10.136 2.795 1.00 38.61 O ATOM 0 H GLU X 178 -22.240 -8.374 6.502 1.00 30.03 H new ATOM 0 HA GLU X 178 -21.491 -6.337 5.158 1.00 30.11 H new ATOM 0 HB2 GLU X 178 -23.284 -8.355 4.324 1.00 30.45 H new ATOM 0 HB3 GLU X 178 -22.795 -7.248 3.340 1.00 30.45 H new ATOM 0 HG2 GLU X 178 -20.663 -8.033 3.381 1.00 33.09 H new ATOM 0 HG3 GLU X 178 -20.967 -8.966 4.593 1.00 33.09 H new ATOM 1412 N SER X 179 -24.605 -6.131 5.880 1.00 30.48 N ATOM 1413 CA SER X 179 -25.719 -5.187 6.070 1.00 31.54 C ATOM 1414 C SER X 179 -25.247 -3.918 6.804 1.00 32.41 C ATOM 1415 O SER X 179 -25.279 -2.817 6.241 1.00 33.04 O ATOM 1416 CB SER X 179 -26.871 -5.863 6.825 1.00 30.64 C ATOM 1417 OG SER X 179 -27.948 -4.975 7.003 1.00 30.54 O ATOM 0 H SER X 179 -24.778 -6.933 6.137 1.00 30.48 H new ATOM 0 HA SER X 179 -26.044 -4.919 5.196 1.00 31.54 H new ATOM 0 HB2 SER X 179 -27.170 -6.644 6.334 1.00 30.64 H new ATOM 0 HB3 SER X 179 -26.558 -6.174 7.689 1.00 30.64 H new ATOM 0 HG SER X 179 -28.567 -5.364 7.416 1.00 30.54 H new ATOM 1418 N TRP X 180 -24.785 -4.091 8.046 1.00 33.07 N ATOM 1419 CA TRP X 180 -24.210 -2.997 8.850 1.00 33.79 C ATOM 1420 C TRP X 180 -23.139 -2.128 8.167 1.00 34.98 C ATOM 1421 O TRP X 180 -23.198 -0.900 8.255 1.00 34.59 O ATOM 1422 CB TRP X 180 -23.706 -3.496 10.221 1.00 33.44 C ATOM 1423 CG TRP X 180 -23.481 -2.357 11.144 1.00 30.27 C ATOM 1424 CD1 TRP X 180 -24.413 -1.783 11.956 1.00 26.65 C ATOM 1425 CD2 TRP X 180 -22.261 -1.613 11.334 1.00 25.64 C ATOM 1426 NE1 TRP X 180 -23.858 -0.737 12.633 1.00 26.84 N ATOM 1427 CE2 TRP X 180 -22.539 -0.611 12.295 1.00 22.67 C ATOM 1428 CE3 TRP X 180 -20.962 -1.715 10.814 1.00 23.63 C ATOM 1429 CZ2 TRP X 180 -21.576 0.322 12.728 1.00 21.42 C ATOM 1430 CZ3 TRP X 180 -19.965 -0.803 11.286 1.00 24.03 C ATOM 1431 CH2 TRP X 180 -20.290 0.206 12.236 1.00 20.56 C ATOM 0 H TRP X 180 -24.795 -4.850 8.451 1.00 33.07 H new ATOM 0 HA TRP X 180 -24.965 -2.400 8.970 1.00 33.79 H new ATOM 0 HB2 TRP X 180 -24.354 -4.107 10.606 1.00 33.44 H new ATOM 0 HB3 TRP X 180 -22.881 -3.993 10.106 1.00 33.44 H new ATOM 0 HD1 TRP X 180 -25.296 -2.063 12.037 1.00 26.65 H new ATOM 0 HE1 TRP X 180 -24.276 -0.232 13.190 1.00 26.84 H new ATOM 0 HE3 TRP X 180 -20.754 -2.360 10.177 1.00 23.63 H new ATOM 0 HZ2 TRP X 180 -21.800 0.997 13.328 1.00 21.42 H new ATOM 0 HZ3 TRP X 180 -19.094 -0.870 10.968 1.00 24.03 H new ATOM 0 HH2 TRP X 180 -19.630 0.793 12.528 1.00 20.56 H new ATOM 1432 N VAL X 181 -22.170 -2.752 7.506 1.00 36.56 N ATOM 1433 CA VAL X 181 -21.107 -2.037 6.819 1.00 38.54 C ATOM 1434 C VAL X 181 -21.606 -1.502 5.458 1.00 40.33 C ATOM 1435 O VAL X 181 -20.974 -0.629 4.858 1.00 41.56 O ATOM 1436 CB VAL X 181 -19.870 -2.948 6.644 1.00 38.50 C ATOM 1437 CG1 VAL X 181 -18.880 -2.357 5.662 1.00 40.03 C ATOM 1438 CG2 VAL X 181 -19.203 -3.220 8.012 1.00 38.73 C ATOM 0 H VAL X 181 -22.112 -3.608 7.444 1.00 36.56 H new ATOM 0 HA VAL X 181 -20.844 -1.276 7.359 1.00 38.54 H new ATOM 0 HB VAL X 181 -20.170 -3.794 6.276 1.00 38.50 H new ATOM 0 HG11 VAL X 181 -18.118 -2.950 5.574 1.00 40.03 H new ATOM 0 HG12 VAL X 181 -19.306 -2.249 4.797 1.00 40.03 H new ATOM 0 HG13 VAL X 181 -18.581 -1.492 5.984 1.00 40.03 H new ATOM 0 HG21 VAL X 181 -18.430 -3.792 7.887 1.00 38.73 H new ATOM 0 HG22 VAL X 181 -18.923 -2.380 8.408 1.00 38.73 H new ATOM 0 HG23 VAL X 181 -19.837 -3.659 8.600 1.00 38.73 H new ATOM 1439 N GLY X 182 -22.735 -2.024 4.978 1.00 41.22 N ATOM 1440 CA GLY X 182 -23.400 -1.490 3.788 1.00 42.21 C ATOM 1441 C GLY X 182 -22.733 -1.939 2.507 1.00 42.81 C ATOM 1442 O GLY X 182 -23.121 -1.510 1.425 1.00 42.98 O ATOM 0 H GLY X 182 -23.137 -2.697 5.332 1.00 41.22 H new ATOM 0 HA2 GLY X 182 -24.328 -1.774 3.784 1.00 42.21 H new ATOM 0 HA3 GLY X 182 -23.400 -0.521 3.828 1.00 42.21 H new ATOM 1443 N THR X 183 -21.704 -2.784 2.630 1.00 43.46 N ATOM 1444 CA THR X 183 -21.044 -3.384 1.475 1.00 43.16 C ATOM 1445 C THR X 183 -20.713 -4.859 1.670 1.00 43.29 C ATOM 1446 O THR X 183 -20.598 -5.343 2.808 1.00 43.24 O ATOM 1447 CB THR X 183 -19.713 -2.646 1.049 1.00 43.72 C ATOM 1448 OG1 THR X 183 -18.602 -3.145 1.815 1.00 45.43 O ATOM 1449 CG2 THR X 183 -19.826 -1.085 1.142 1.00 42.73 C ATOM 0 H THR X 183 -21.372 -3.023 3.387 1.00 43.46 H new ATOM 0 HA THR X 183 -21.703 -3.287 0.770 1.00 43.16 H new ATOM 0 HB THR X 183 -19.558 -2.844 0.112 1.00 43.72 H new ATOM 0 HG1 THR X 183 -17.899 -2.748 1.581 1.00 45.43 H new ATOM 0 HG21 THR X 183 -18.986 -0.683 0.871 1.00 42.73 H new ATOM 0 HG22 THR X 183 -20.535 -0.776 0.557 1.00 42.73 H new ATOM 0 HG23 THR X 183 -20.027 -0.829 2.056 1.00 42.73 H new ATOM 1450 N LYS X 184 -20.509 -5.535 0.545 1.00 42.56 N ATOM 1451 CA LYS X 184 -19.987 -6.886 0.534 1.00 42.73 C ATOM 1452 C LYS X 184 -18.620 -6.893 1.204 1.00 41.88 C ATOM 1453 O LYS X 184 -17.834 -5.955 1.070 1.00 42.14 O ATOM 1454 CB LYS X 184 -19.877 -7.409 -0.899 1.00 42.76 C ATOM 1455 CG LYS X 184 -20.848 -8.531 -1.226 1.00 44.43 C ATOM 1456 CD LYS X 184 -21.978 -8.041 -2.117 1.00 47.14 C ATOM 1457 CE LYS X 184 -23.236 -7.763 -1.311 1.00 48.16 C ATOM 1458 NZ LYS X 184 -24.468 -8.155 -2.050 1.00 48.90 N ATOM 0 H LYS X 184 -20.672 -5.216 -0.237 1.00 42.56 H new ATOM 0 HA LYS X 184 -20.592 -7.468 1.020 1.00 42.73 H new ATOM 0 HB2 LYS X 184 -20.028 -6.674 -1.514 1.00 42.76 H new ATOM 0 HB3 LYS X 184 -18.972 -7.723 -1.050 1.00 42.76 H new ATOM 0 HG2 LYS X 184 -20.374 -9.253 -1.668 1.00 44.43 H new ATOM 0 HG3 LYS X 184 -21.215 -8.894 -0.405 1.00 44.43 H new ATOM 0 HD2 LYS X 184 -21.702 -7.234 -2.578 1.00 47.14 H new ATOM 0 HD3 LYS X 184 -22.168 -8.706 -2.797 1.00 47.14 H new ATOM 0 HE2 LYS X 184 -23.195 -8.247 -0.471 1.00 48.16 H new ATOM 0 HE3 LYS X 184 -23.277 -6.819 -1.092 1.00 48.16 H new ATOM 0 HZ1 LYS X 184 -25.183 -7.979 -1.550 1.00 48.90 H new ATOM 0 HZ2 LYS X 184 -24.517 -7.695 -2.810 1.00 48.90 H new ATOM 0 HZ3 LYS X 184 -24.441 -9.026 -2.232 1.00 48.90 H new ATOM 1459 N VAL X 185 -18.359 -7.969 1.929 1.00 41.44 N ATOM 1460 CA VAL X 185 -17.131 -8.154 2.714 1.00 39.69 C ATOM 1461 C VAL X 185 -16.747 -9.584 2.468 1.00 39.24 C ATOM 1462 O VAL X 185 -17.626 -10.461 2.423 1.00 38.76 O ATOM 1463 CB VAL X 185 -17.326 -7.885 4.251 1.00 39.94 C ATOM 1464 CG1 VAL X 185 -16.133 -8.409 5.085 1.00 37.77 C ATOM 1465 CG2 VAL X 185 -17.586 -6.395 4.551 1.00 38.98 C ATOM 0 H VAL X 185 -18.901 -8.634 1.985 1.00 41.44 H new ATOM 0 HA VAL X 185 -16.449 -7.519 2.444 1.00 39.69 H new ATOM 0 HB VAL X 185 -18.116 -8.381 4.516 1.00 39.94 H new ATOM 0 HG11 VAL X 185 -16.289 -8.225 6.025 1.00 37.77 H new ATOM 0 HG12 VAL X 185 -16.042 -9.366 4.954 1.00 37.77 H new ATOM 0 HG13 VAL X 185 -15.319 -7.965 4.800 1.00 37.77 H new ATOM 0 HG21 VAL X 185 -17.700 -6.272 5.506 1.00 38.98 H new ATOM 0 HG22 VAL X 185 -16.832 -5.867 4.246 1.00 38.98 H new ATOM 0 HG23 VAL X 185 -18.390 -6.107 4.090 1.00 38.98 H new ATOM 1466 N PRO X 186 -15.440 -9.825 2.259 1.00 38.79 N ATOM 1467 CA PRO X 186 -14.895 -11.165 2.098 1.00 38.72 C ATOM 1468 C PRO X 186 -15.366 -12.107 3.205 1.00 38.82 C ATOM 1469 O PRO X 186 -15.155 -11.826 4.388 1.00 38.20 O ATOM 1470 CB PRO X 186 -13.382 -10.933 2.194 1.00 39.08 C ATOM 1471 CG PRO X 186 -13.190 -9.530 1.754 1.00 38.30 C ATOM 1472 CD PRO X 186 -14.397 -8.783 2.173 1.00 38.62 C ATOM 0 HA PRO X 186 -15.175 -11.585 1.270 1.00 38.72 H new ATOM 0 HB2 PRO X 186 -13.062 -11.066 3.100 1.00 39.08 H new ATOM 0 HB3 PRO X 186 -12.894 -11.550 1.627 1.00 39.08 H new ATOM 0 HG2 PRO X 186 -12.393 -9.149 2.155 1.00 38.30 H new ATOM 0 HG3 PRO X 186 -13.073 -9.484 0.792 1.00 38.30 H new ATOM 0 HD2 PRO X 186 -14.264 -8.340 3.026 1.00 38.62 H new ATOM 0 HD3 PRO X 186 -14.632 -8.096 1.530 1.00 38.62 H new ATOM 1473 N HIS X 187 -16.035 -13.194 2.820 1.00 38.36 N ATOM 1474 CA HIS X 187 -16.493 -14.183 3.792 1.00 38.34 C ATOM 1475 C HIS X 187 -15.445 -15.285 3.899 1.00 37.65 C ATOM 1476 O HIS X 187 -15.033 -15.845 2.879 1.00 38.98 O ATOM 1477 CB HIS X 187 -17.870 -14.759 3.395 1.00 38.47 C ATOM 1478 CG HIS X 187 -18.573 -15.494 4.497 1.00 39.16 C ATOM 1479 ND1 HIS X 187 -19.757 -16.177 4.301 1.00 38.76 N ATOM 1480 CD2 HIS X 187 -18.262 -15.650 5.809 1.00 38.88 C ATOM 1481 CE1 HIS X 187 -20.150 -16.707 5.448 1.00 38.09 C ATOM 1482 NE2 HIS X 187 -19.256 -16.412 6.374 1.00 38.71 N ATOM 0 H HIS X 187 -16.233 -13.376 2.003 1.00 38.36 H new ATOM 0 HA HIS X 187 -16.604 -13.758 4.657 1.00 38.34 H new ATOM 0 HB2 HIS X 187 -18.437 -14.033 3.092 1.00 38.47 H new ATOM 0 HB3 HIS X 187 -17.753 -15.360 2.643 1.00 38.47 H new ATOM 0 HD2 HIS X 187 -17.516 -15.306 6.244 1.00 38.88 H new ATOM 0 HE1 HIS X 187 -20.925 -17.204 5.580 1.00 38.09 H new ATOM 0 HE2 HIS X 187 -19.290 -16.657 7.198 1.00 38.71 H new ATOM 1483 N GLY X 188 -14.998 -15.576 5.119 1.00 36.07 N ATOM 1484 CA GLY X 188 -14.056 -16.660 5.354 1.00 34.71 C ATOM 1485 C GLY X 188 -12.633 -16.151 5.331 1.00 34.03 C ATOM 1486 O GLY X 188 -12.388 -14.950 5.224 1.00 33.73 O ATOM 0 H GLY X 188 -15.233 -15.151 5.829 1.00 36.07 H new ATOM 0 HA2 GLY X 188 -14.241 -17.075 6.211 1.00 34.71 H new ATOM 0 HA3 GLY X 188 -14.170 -17.345 4.677 1.00 34.71 H new ATOM 1487 N LYS X 189 -11.695 -17.086 5.380 1.00 34.44 N ATOM 1488 CA LYS X 189 -10.274 -16.790 5.485 1.00 35.22 C ATOM 1489 C LYS X 189 -9.662 -16.139 4.254 1.00 35.06 C ATOM 1490 O LYS X 189 -9.911 -16.549 3.127 1.00 34.85 O ATOM 1491 CB LYS X 189 -9.494 -18.061 5.863 1.00 35.41 C ATOM 1492 CG LYS X 189 -9.951 -18.663 7.207 1.00 38.70 C ATOM 1493 CD LYS X 189 -9.108 -19.868 7.664 1.00 44.31 C ATOM 1494 CE LYS X 189 -9.538 -21.229 7.022 1.00 47.81 C ATOM 1495 NZ LYS X 189 -10.951 -21.699 7.333 1.00 49.23 N ATOM 0 H LYS X 189 -11.870 -17.928 5.353 1.00 34.44 H new ATOM 0 HA LYS X 189 -10.200 -16.125 6.187 1.00 35.22 H new ATOM 0 HB2 LYS X 189 -9.603 -18.723 5.163 1.00 35.41 H new ATOM 0 HB3 LYS X 189 -8.548 -17.853 5.911 1.00 35.41 H new ATOM 0 HG2 LYS X 189 -9.914 -17.975 7.890 1.00 38.70 H new ATOM 0 HG3 LYS X 189 -10.878 -18.937 7.131 1.00 38.70 H new ATOM 0 HD2 LYS X 189 -8.177 -19.700 7.449 1.00 44.31 H new ATOM 0 HD3 LYS X 189 -9.167 -19.944 8.629 1.00 44.31 H new ATOM 0 HE2 LYS X 189 -9.446 -21.155 6.059 1.00 47.81 H new ATOM 0 HE3 LYS X 189 -8.917 -21.914 7.315 1.00 47.81 H new ATOM 0 HZ1 LYS X 189 -11.102 -22.476 6.926 1.00 49.23 H new ATOM 0 HZ2 LYS X 189 -11.043 -21.802 8.212 1.00 49.23 H new ATOM 0 HZ3 LYS X 189 -11.536 -21.094 7.042 1.00 49.23 H new ATOM 1496 N ILE X 190 -8.859 -15.111 4.500 1.00 35.96 N ATOM 1497 CA ILE X 190 -8.035 -14.478 3.490 1.00 36.49 C ATOM 1498 C ILE X 190 -6.593 -14.810 3.808 1.00 37.40 C ATOM 1499 O ILE X 190 -6.212 -14.937 4.973 1.00 37.65 O ATOM 1500 CB ILE X 190 -8.165 -12.938 3.524 1.00 36.97 C ATOM 1501 CG1 ILE X 190 -9.611 -12.488 3.248 1.00 35.98 C ATOM 1502 CG2 ILE X 190 -7.141 -12.283 2.574 1.00 36.68 C ATOM 1503 CD1 ILE X 190 -9.877 -11.090 3.667 1.00 34.77 C ATOM 0 H ILE X 190 -8.779 -14.756 5.279 1.00 35.96 H new ATOM 0 HA ILE X 190 -8.316 -14.797 2.618 1.00 36.49 H new ATOM 0 HB ILE X 190 -7.955 -12.632 4.420 1.00 36.97 H new ATOM 0 HG12 ILE X 190 -9.796 -12.576 2.300 1.00 35.98 H new ATOM 0 HG13 ILE X 190 -10.222 -13.081 3.712 1.00 35.98 H new ATOM 0 HG21 ILE X 190 -7.238 -11.318 2.609 1.00 36.68 H new ATOM 0 HG22 ILE X 190 -6.243 -12.528 2.847 1.00 36.68 H new ATOM 0 HG23 ILE X 190 -7.298 -12.591 1.667 1.00 36.68 H new ATOM 0 HD11 ILE X 190 -10.799 -10.863 3.470 1.00 34.77 H new ATOM 0 HD12 ILE X 190 -9.720 -11.002 4.620 1.00 34.77 H new ATOM 0 HD13 ILE X 190 -9.286 -10.490 3.186 1.00 34.77 H new ATOM 1504 N ASN X 191 -5.775 -14.946 2.772 1.00 38.23 N ATOM 1505 CA ASN X 191 -4.363 -15.191 2.986 1.00 39.22 C ATOM 1506 C ASN X 191 -3.567 -14.071 2.347 1.00 39.89 C ATOM 1507 O ASN X 191 -3.625 -13.812 1.123 1.00 40.06 O ATOM 1508 CB ASN X 191 -3.944 -16.547 2.428 1.00 39.81 C ATOM 1509 CG ASN X 191 -2.618 -17.047 3.001 1.00 39.81 C ATOM 1510 OD1 ASN X 191 -1.507 -16.441 2.583 1.00 42.07 O flip ATOM 1511 ND2 ASN X 191 -2.600 -17.986 3.783 1.00 38.94 N flip ATOM 0 H ASN X 191 -6.017 -14.900 1.948 1.00 38.23 H new ATOM 0 HA ASN X 191 -4.185 -15.210 3.939 1.00 39.22 H new ATOM 0 HB2 ASN X 191 -4.638 -17.197 2.618 1.00 39.81 H new ATOM 0 HB3 ASN X 191 -3.870 -16.485 1.463 1.00 39.81 H new ATOM 0 HD21 ASN X 191 -3.337 -18.353 4.031 1.00 38.94 H new ATOM 0 HD22 ASN X 191 -1.850 -18.280 4.085 1.00 38.94 H new ATOM 1512 N GLU X 192 -2.822 -13.389 3.193 1.00 40.17 N ATOM 1513 CA GLU X 192 -1.973 -12.347 2.721 1.00 40.26 C ATOM 1514 C GLU X 192 -0.772 -12.395 3.636 1.00 40.77 C ATOM 1515 O GLU X 192 -0.908 -12.556 4.877 1.00 40.69 O ATOM 1516 CB GLU X 192 -2.735 -11.021 2.767 1.00 40.12 C ATOM 1517 CG GLU X 192 -1.896 -9.798 2.529 1.00 39.83 C ATOM 1518 CD GLU X 192 -2.720 -8.530 2.380 1.00 39.95 C ATOM 1519 OE1 GLU X 192 -3.883 -8.467 2.829 1.00 37.44 O ATOM 1520 OE2 GLU X 192 -2.177 -7.565 1.821 1.00 41.79 O ATOM 0 H GLU X 192 -2.800 -13.521 4.043 1.00 40.17 H new ATOM 0 HA GLU X 192 -1.688 -12.446 1.799 1.00 40.26 H new ATOM 0 HB2 GLU X 192 -3.441 -11.046 2.103 1.00 40.12 H new ATOM 0 HB3 GLU X 192 -3.163 -10.939 3.634 1.00 40.12 H new ATOM 0 HG2 GLU X 192 -1.276 -9.689 3.267 1.00 39.83 H new ATOM 0 HG3 GLU X 192 -1.364 -9.928 1.728 1.00 39.83 H new ATOM 1521 N ASP X 193 0.393 -12.341 2.996 1.00 41.05 N ATOM 1522 CA ASP X 193 1.697 -12.447 3.640 1.00 41.52 C ATOM 1523 C ASP X 193 1.871 -13.607 4.627 1.00 40.66 C ATOM 1524 O ASP X 193 2.332 -13.398 5.762 1.00 40.56 O ATOM 1525 CB ASP X 193 2.048 -11.127 4.318 1.00 42.01 C ATOM 1526 CG ASP X 193 3.543 -10.875 4.380 1.00 44.23 C ATOM 1527 OD1 ASP X 193 4.353 -11.789 4.043 1.00 43.53 O ATOM 1528 OD2 ASP X 193 3.891 -9.745 4.786 1.00 46.79 O ATOM 0 H ASP X 193 0.447 -12.238 2.144 1.00 41.05 H new ATOM 0 HA ASP X 193 2.312 -12.650 2.918 1.00 41.52 H new ATOM 0 HB2 ASP X 193 1.621 -10.399 3.839 1.00 42.01 H new ATOM 0 HB3 ASP X 193 1.687 -11.125 5.218 1.00 42.01 H new ATOM 1529 N GLY X 194 1.462 -14.802 4.198 1.00 40.09 N ATOM 1530 CA GLY X 194 1.856 -16.056 4.835 1.00 38.92 C ATOM 1531 C GLY X 194 0.940 -16.621 5.912 1.00 38.64 C ATOM 1532 O GLY X 194 1.285 -17.619 6.573 1.00 38.46 O ATOM 0 H GLY X 194 0.942 -14.906 3.521 1.00 40.09 H new ATOM 0 HA2 GLY X 194 1.950 -16.727 4.141 1.00 38.92 H new ATOM 0 HA3 GLY X 194 2.734 -15.929 5.227 1.00 38.92 H new ATOM 1533 N PHE X 195 -0.230 -16.006 6.094 1.00 36.89 N ATOM 1534 CA PHE X 195 -1.164 -16.469 7.126 1.00 35.43 C ATOM 1535 C PHE X 195 -2.594 -16.088 6.830 1.00 33.13 C ATOM 1536 O PHE X 195 -2.862 -15.127 6.106 1.00 32.30 O ATOM 1537 CB PHE X 195 -0.770 -15.906 8.493 1.00 35.95 C ATOM 1538 CG PHE X 195 -0.670 -14.400 8.519 1.00 37.79 C ATOM 1539 CD1 PHE X 195 -1.817 -13.610 8.555 1.00 39.26 C ATOM 1540 CD2 PHE X 195 0.579 -13.774 8.504 1.00 41.10 C ATOM 1541 CE1 PHE X 195 -1.718 -12.213 8.583 1.00 42.06 C ATOM 1542 CE2 PHE X 195 0.689 -12.378 8.537 1.00 42.41 C ATOM 1543 CZ PHE X 195 -0.458 -11.600 8.584 1.00 42.29 C ATOM 0 H PHE X 195 -0.500 -15.329 5.638 1.00 36.89 H new ATOM 0 HA PHE X 195 -1.109 -17.437 7.132 1.00 35.43 H new ATOM 0 HB2 PHE X 195 -1.422 -16.191 9.152 1.00 35.95 H new ATOM 0 HB3 PHE X 195 0.084 -16.284 8.757 1.00 35.95 H new ATOM 0 HD1 PHE X 195 -2.655 -14.013 8.560 1.00 39.26 H new ATOM 0 HD2 PHE X 195 1.350 -14.293 8.472 1.00 41.10 H new ATOM 0 HE1 PHE X 195 -2.488 -11.692 8.601 1.00 42.06 H new ATOM 0 HE2 PHE X 195 1.527 -11.975 8.527 1.00 42.41 H new ATOM 0 HZ PHE X 195 -0.391 -10.673 8.616 1.00 42.29 H new ATOM 1544 N ASP X 196 -3.507 -16.820 7.453 1.00 31.50 N ATOM 1545 CA ASP X 196 -4.921 -16.582 7.295 1.00 29.94 C ATOM 1546 C ASP X 196 -5.459 -15.537 8.279 1.00 28.24 C ATOM 1547 O ASP X 196 -5.098 -15.491 9.470 1.00 27.28 O ATOM 1548 CB ASP X 196 -5.703 -17.893 7.432 1.00 30.20 C ATOM 1549 CG ASP X 196 -5.501 -18.816 6.238 1.00 32.65 C ATOM 1550 OD1 ASP X 196 -4.909 -18.391 5.221 1.00 36.64 O ATOM 1551 OD2 ASP X 196 -5.948 -19.979 6.324 1.00 36.73 O ATOM 0 H ASP X 196 -3.317 -17.471 7.981 1.00 31.50 H new ATOM 0 HA ASP X 196 -5.047 -16.223 6.403 1.00 29.94 H new ATOM 0 HB2 ASP X 196 -5.425 -18.350 8.241 1.00 30.20 H new ATOM 0 HB3 ASP X 196 -6.648 -17.695 7.528 1.00 30.20 H new ATOM 1552 N TYR X 197 -6.350 -14.718 7.760 1.00 26.60 N ATOM 1553 CA TYR X 197 -7.125 -13.843 8.589 1.00 25.48 C ATOM 1554 C TYR X 197 -8.560 -13.697 8.113 1.00 24.91 C ATOM 1555 O TYR X 197 -8.872 -13.895 6.935 1.00 25.54 O ATOM 1556 CB TYR X 197 -6.454 -12.489 8.738 1.00 25.29 C ATOM 1557 CG TYR X 197 -6.313 -11.662 7.484 1.00 23.79 C ATOM 1558 CD1 TYR X 197 -7.284 -10.742 7.150 1.00 22.96 C ATOM 1559 CD2 TYR X 197 -5.169 -11.748 6.681 1.00 26.63 C ATOM 1560 CE1 TYR X 197 -7.183 -9.930 6.050 1.00 24.01 C ATOM 1561 CE2 TYR X 197 -5.038 -10.930 5.530 1.00 27.68 C ATOM 1562 CZ TYR X 197 -6.063 -10.027 5.225 1.00 27.84 C ATOM 1563 OH TYR X 197 -6.010 -9.169 4.142 1.00 28.04 O ATOM 0 H TYR X 197 -6.519 -14.657 6.919 1.00 26.60 H new ATOM 0 HA TYR X 197 -7.167 -14.259 9.464 1.00 25.48 H new ATOM 0 HB2 TYR X 197 -6.956 -11.972 9.387 1.00 25.29 H new ATOM 0 HB3 TYR X 197 -5.569 -12.629 9.110 1.00 25.29 H new ATOM 0 HD1 TYR X 197 -8.036 -10.669 7.692 1.00 22.96 H new ATOM 0 HD2 TYR X 197 -4.491 -12.345 6.904 1.00 26.63 H new ATOM 0 HE1 TYR X 197 -7.857 -9.319 5.855 1.00 24.01 H new ATOM 0 HE2 TYR X 197 -4.285 -10.992 4.988 1.00 27.68 H new ATOM 0 HH TYR X 197 -5.262 -9.237 3.767 1.00 28.04 H new ATOM 1564 N GLU X 198 -9.445 -13.356 9.039 1.00 23.39 N ATOM 1565 CA GLU X 198 -10.804 -13.078 8.610 1.00 23.41 C ATOM 1566 C GLU X 198 -11.499 -11.975 9.409 1.00 22.92 C ATOM 1567 O GLU X 198 -11.088 -11.664 10.557 1.00 21.72 O ATOM 1568 CB GLU X 198 -11.642 -14.378 8.548 1.00 22.73 C ATOM 1569 CG GLU X 198 -12.295 -14.842 9.861 1.00 24.56 C ATOM 1570 CD GLU X 198 -13.057 -16.159 9.673 1.00 27.46 C ATOM 1571 OE1 GLU X 198 -12.517 -17.170 10.101 1.00 30.34 O ATOM 1572 OE2 GLU X 198 -14.175 -16.199 9.098 1.00 31.07 O ATOM 0 H GLU X 198 -9.290 -13.282 9.882 1.00 23.39 H new ATOM 0 HA GLU X 198 -10.735 -12.720 7.711 1.00 23.41 H new ATOM 0 HB2 GLU X 198 -12.342 -14.256 7.888 1.00 22.73 H new ATOM 0 HB3 GLU X 198 -11.070 -15.092 8.225 1.00 22.73 H new ATOM 0 HG2 GLU X 198 -11.613 -14.956 10.541 1.00 24.56 H new ATOM 0 HG3 GLU X 198 -12.903 -14.157 10.181 1.00 24.56 H new ATOM 1573 N PHE X 199 -12.573 -11.438 8.804 1.00 21.70 N ATOM 1574 CA PHE X 199 -13.370 -10.341 9.333 1.00 20.05 C ATOM 1575 C PHE X 199 -14.568 -10.868 10.049 1.00 21.01 C ATOM 1576 O PHE X 199 -15.414 -11.669 9.522 1.00 20.04 O ATOM 1577 CB PHE X 199 -13.826 -9.353 8.247 1.00 21.30 C ATOM 1578 CG PHE X 199 -12.727 -8.860 7.377 1.00 22.79 C ATOM 1579 CD1 PHE X 199 -11.658 -8.109 7.903 1.00 22.05 C ATOM 1580 CD2 PHE X 199 -12.748 -9.142 6.032 1.00 23.59 C ATOM 1581 CE1 PHE X 199 -10.643 -7.654 7.062 1.00 21.40 C ATOM 1582 CE2 PHE X 199 -11.725 -8.696 5.172 1.00 24.19 C ATOM 1583 CZ PHE X 199 -10.689 -7.947 5.686 1.00 24.42 C ATOM 0 H PHE X 199 -12.860 -11.722 8.044 1.00 21.70 H new ATOM 0 HA PHE X 199 -12.795 -9.858 9.947 1.00 20.05 H new ATOM 0 HB2 PHE X 199 -14.496 -9.783 7.693 1.00 21.30 H new ATOM 0 HB3 PHE X 199 -14.254 -8.594 8.673 1.00 21.30 H new ATOM 0 HD1 PHE X 199 -11.629 -7.916 8.812 1.00 22.05 H new ATOM 0 HD2 PHE X 199 -13.453 -9.638 5.682 1.00 23.59 H new ATOM 0 HE1 PHE X 199 -9.937 -7.158 7.409 1.00 21.40 H new ATOM 0 HE2 PHE X 199 -11.749 -8.905 4.266 1.00 24.19 H new ATOM 0 HZ PHE X 199 -10.019 -7.634 5.122 1.00 24.42 H new ATOM 1584 N GLU X 200 -14.662 -10.424 11.276 1.00 17.90 N ATOM 1585 CA GLU X 200 -15.745 -10.840 12.113 1.00 18.80 C ATOM 1586 C GLU X 200 -16.486 -9.580 12.626 1.00 16.82 C ATOM 1587 O GLU X 200 -15.912 -8.491 12.776 1.00 14.59 O ATOM 1588 CB GLU X 200 -15.174 -11.569 13.312 1.00 17.97 C ATOM 1589 CG GLU X 200 -14.510 -12.912 13.077 1.00 19.26 C ATOM 1590 CD GLU X 200 -14.160 -13.582 14.382 1.00 19.52 C ATOM 1591 OE1 GLU X 200 -13.929 -12.857 15.364 1.00 22.00 O ATOM 1592 OE2 GLU X 200 -14.076 -14.807 14.415 1.00 25.83 O ATOM 0 H GLU X 200 -14.107 -9.880 11.643 1.00 17.90 H new ATOM 0 HA GLU X 200 -16.349 -11.414 11.617 1.00 18.80 H new ATOM 0 HB2 GLU X 200 -14.524 -10.985 13.733 1.00 17.97 H new ATOM 0 HB3 GLU X 200 -15.893 -11.700 13.950 1.00 17.97 H new ATOM 0 HG2 GLU X 200 -15.103 -13.484 12.566 1.00 19.26 H new ATOM 0 HG3 GLU X 200 -13.707 -12.790 12.547 1.00 19.26 H new ATOM 1593 N MET X 201 -17.748 -9.763 12.967 1.00 17.94 N ATOM 1594 CA MET X 201 -18.453 -8.750 13.729 1.00 18.90 C ATOM 1595 C MET X 201 -19.165 -9.268 14.933 1.00 18.37 C ATOM 1596 O MET X 201 -19.974 -10.213 14.861 1.00 20.63 O ATOM 1597 CB MET X 201 -19.404 -7.922 12.856 1.00 20.34 C ATOM 1598 CG MET X 201 -20.087 -6.763 13.564 1.00 19.37 C ATOM 1599 SD MET X 201 -21.369 -5.806 12.610 1.00 22.42 S ATOM 1600 CE MET X 201 -22.592 -7.094 12.386 1.00 19.94 C ATOM 0 H MET X 201 -18.212 -10.460 12.770 1.00 17.94 H new ATOM 0 HA MET X 201 -17.750 -8.169 14.059 1.00 18.90 H new ATOM 0 HB2 MET X 201 -18.905 -7.573 12.101 1.00 20.34 H new ATOM 0 HB3 MET X 201 -20.086 -8.511 12.497 1.00 20.34 H new ATOM 0 HG2 MET X 201 -20.508 -7.109 14.367 1.00 19.37 H new ATOM 0 HG3 MET X 201 -19.400 -6.140 13.850 1.00 19.37 H new ATOM 0 HE1 MET X 201 -23.302 -6.770 11.810 1.00 19.94 H new ATOM 0 HE2 MET X 201 -22.175 -7.869 11.979 1.00 19.94 H new ATOM 0 HE3 MET X 201 -22.963 -7.342 13.247 1.00 19.94 H new ATOM 1601 N TRP X 202 -18.862 -8.592 16.021 1.00 16.52 N ATOM 1602 CA TRP X 202 -19.400 -8.959 17.341 1.00 17.08 C ATOM 1603 C TRP X 202 -20.187 -7.826 17.873 1.00 17.55 C ATOM 1604 O TRP X 202 -19.868 -6.622 17.633 1.00 18.48 O ATOM 1605 CB TRP X 202 -18.275 -9.295 18.307 1.00 16.20 C ATOM 1606 CG TRP X 202 -17.409 -10.424 17.959 1.00 15.53 C ATOM 1607 CD1 TRP X 202 -16.608 -10.521 16.807 1.00 15.20 C ATOM 1608 CD2 TRP X 202 -17.348 -11.704 18.603 1.00 17.91 C ATOM 1609 NE1 TRP X 202 -16.006 -11.745 16.811 1.00 18.04 N ATOM 1610 CE2 TRP X 202 -16.447 -12.498 17.879 1.00 17.12 C ATOM 1611 CE3 TRP X 202 -17.928 -12.241 19.787 1.00 9.62 C ATOM 1612 CZ2 TRP X 202 -16.112 -13.855 18.264 1.00 14.39 C ATOM 1613 CZ3 TRP X 202 -17.590 -13.626 20.144 1.00 10.82 C ATOM 1614 CH2 TRP X 202 -16.691 -14.366 19.429 1.00 18.80 C ATOM 0 H TRP X 202 -18.341 -7.907 16.029 1.00 16.52 H new ATOM 0 HA TRP X 202 -19.965 -9.742 17.244 1.00 17.08 H new ATOM 0 HB2 TRP X 202 -17.717 -8.507 18.405 1.00 16.20 H new ATOM 0 HB3 TRP X 202 -18.668 -9.474 19.176 1.00 16.20 H new ATOM 0 HD1 TRP X 202 -16.506 -9.865 16.156 1.00 15.20 H new ATOM 0 HE1 TRP X 202 -15.431 -12.010 16.229 1.00 18.04 H new ATOM 0 HE3 TRP X 202 -18.500 -11.733 20.316 1.00 9.62 H new ATOM 0 HZ2 TRP X 202 -15.530 -14.369 17.752 1.00 14.39 H new ATOM 0 HZ3 TRP X 202 -18.003 -14.012 20.883 1.00 10.82 H new ATOM 0 HH2 TRP X 202 -16.462 -15.219 19.721 1.00 18.80 H new ATOM 1615 N THR X 203 -21.174 -8.163 18.728 1.00 19.12 N ATOM 1616 CA THR X 203 -21.996 -7.145 19.321 1.00 19.43 C ATOM 1617 C THR X 203 -22.209 -7.567 20.724 1.00 19.79 C ATOM 1618 O THR X 203 -22.040 -8.739 21.048 1.00 20.24 O ATOM 1619 CB THR X 203 -23.395 -7.031 18.735 1.00 19.96 C ATOM 1620 OG1 THR X 203 -24.054 -8.292 18.851 1.00 18.82 O ATOM 1621 CG2 THR X 203 -23.332 -6.601 17.244 1.00 20.87 C ATOM 0 H THR X 203 -21.365 -8.968 18.962 1.00 19.12 H new ATOM 0 HA THR X 203 -21.543 -6.298 19.183 1.00 19.43 H new ATOM 0 HB THR X 203 -23.890 -6.355 19.224 1.00 19.96 H new ATOM 0 HG1 THR X 203 -24.168 -8.620 18.086 1.00 18.82 H new ATOM 0 HG21 THR X 203 -24.232 -6.534 16.888 1.00 20.87 H new ATOM 0 HG22 THR X 203 -22.892 -5.740 17.174 1.00 20.87 H new ATOM 0 HG23 THR X 203 -22.833 -7.261 16.738 1.00 20.87 H new ATOM 1622 N ARG X 204 -22.530 -6.572 21.527 1.00 21.02 N ATOM 1623 CA ARG X 204 -23.007 -6.785 22.859 1.00 21.64 C ATOM 1624 C ARG X 204 -24.157 -5.808 23.072 1.00 22.39 C ATOM 1625 O ARG X 204 -24.048 -4.585 22.791 1.00 21.10 O ATOM 1626 CB ARG X 204 -21.879 -6.640 23.836 1.00 22.53 C ATOM 1627 CG ARG X 204 -21.667 -5.331 24.281 1.00 24.06 C ATOM 1628 CD ARG X 204 -20.678 -5.240 25.422 1.00 27.51 C ATOM 1629 NE ARG X 204 -20.474 -3.807 25.598 1.00 24.97 N ATOM 1630 CZ ARG X 204 -19.547 -3.229 26.378 1.00 29.17 C ATOM 1631 NH1 ARG X 204 -18.680 -3.946 27.110 1.00 25.23 N ATOM 1632 NH2 ARG X 204 -19.524 -1.914 26.438 1.00 24.72 N ATOM 0 H ARG X 204 -22.473 -5.744 21.303 1.00 21.02 H new ATOM 0 HA ARG X 204 -23.343 -7.684 23.000 1.00 21.64 H new ATOM 0 HB2 ARG X 204 -22.055 -7.207 24.603 1.00 22.53 H new ATOM 0 HB3 ARG X 204 -21.064 -6.966 23.423 1.00 22.53 H new ATOM 0 HG2 ARG X 204 -21.347 -4.792 23.541 1.00 24.06 H new ATOM 0 HG3 ARG X 204 -22.513 -4.951 24.564 1.00 24.06 H new ATOM 0 HD2 ARG X 204 -21.027 -5.651 26.228 1.00 27.51 H new ATOM 0 HD3 ARG X 204 -19.847 -5.694 25.209 1.00 27.51 H new ATOM 0 HE ARG X 204 -20.997 -3.283 25.161 1.00 24.97 H new ATOM 0 HH11 ARG X 204 -18.707 -4.805 27.089 1.00 25.23 H new ATOM 0 HH12 ARG X 204 -18.097 -3.546 27.600 1.00 25.23 H new ATOM 0 HH21 ARG X 204 -20.092 -1.453 25.986 1.00 24.72 H new ATOM 0 HH22 ARG X 204 -18.941 -1.516 26.930 1.00 24.72 H new ATOM 1633 N ASP X 205 -25.273 -6.373 23.530 1.00 22.49 N ATOM 1634 CA ASP X 205 -26.506 -5.594 23.821 1.00 23.80 C ATOM 1635 C ASP X 205 -26.305 -4.439 24.836 1.00 24.33 C ATOM 1636 O ASP X 205 -25.730 -4.619 25.940 1.00 24.56 O ATOM 1637 CB ASP X 205 -27.613 -6.521 24.297 1.00 22.19 C ATOM 1638 CG ASP X 205 -28.071 -7.501 23.206 1.00 23.70 C ATOM 1639 OD1 ASP X 205 -27.611 -7.432 22.039 1.00 25.01 O ATOM 1640 OD2 ASP X 205 -28.918 -8.329 23.489 1.00 26.95 O ATOM 0 H ASP X 205 -25.348 -7.216 23.684 1.00 22.49 H new ATOM 0 HA ASP X 205 -26.756 -5.172 22.984 1.00 23.80 H new ATOM 0 HB2 ASP X 205 -27.302 -7.022 25.067 1.00 22.19 H new ATOM 0 HB3 ASP X 205 -28.371 -5.991 24.590 1.00 22.19 H new ATOM 1641 N LEU X 206 -26.822 -3.262 24.469 1.00 24.82 N ATOM 1642 CA LEU X 206 -26.738 -2.043 25.303 1.00 25.66 C ATOM 1643 C LEU X 206 -27.580 -2.236 26.583 1.00 26.45 C ATOM 1644 O LEU X 206 -28.565 -2.990 26.562 1.00 24.65 O ATOM 1645 CB LEU X 206 -27.291 -0.832 24.535 1.00 25.92 C ATOM 1646 CG LEU X 206 -26.458 0.072 23.616 1.00 26.52 C ATOM 1647 CD1 LEU X 206 -25.039 0.347 24.075 1.00 21.16 C ATOM 1648 CD2 LEU X 206 -26.457 -0.382 22.155 1.00 26.80 C ATOM 1649 OXT LEU X 206 -27.319 -1.606 27.636 1.00 26.67 O ATOM 0 H LEU X 206 -27.235 -3.142 23.724 1.00 24.82 H new ATOM 0 HA LEU X 206 -25.808 -1.887 25.530 1.00 25.66 H new ATOM 0 HB2 LEU X 206 -28.019 -1.170 23.991 1.00 25.92 H new ATOM 0 HB3 LEU X 206 -27.683 -0.247 25.202 1.00 25.92 H new ATOM 0 HG LEU X 206 -26.930 0.917 23.680 1.00 26.52 H new ATOM 0 HD11 LEU X 206 -24.597 0.924 23.432 1.00 21.16 H new ATOM 0 HD12 LEU X 206 -25.058 0.783 24.941 1.00 21.16 H new ATOM 0 HD13 LEU X 206 -24.554 -0.490 24.146 1.00 21.16 H new ATOM 0 HD21 LEU X 206 -25.916 0.226 21.627 1.00 26.80 H new ATOM 0 HD22 LEU X 206 -26.088 -1.277 22.094 1.00 26.80 H new ATOM 0 HD23 LEU X 206 -27.366 -0.383 21.816 1.00 26.80 H new TER 1650 LEU X 206 HETATM 1651 C1 TOP X 301 -6.402 -0.986 11.621 1.00 6.20 C HETATM 1652 N2 TOP X 301 -7.153 -2.108 11.335 1.00 11.07 N HETATM 1653 C3 TOP X 301 -8.258 -2.456 12.053 1.00 12.23 C HETATM 1654 N4 TOP X 301 -9.053 -3.553 11.746 1.00 13.89 N HETATM 1655 N5 TOP X 301 -8.425 -1.670 13.170 1.00 13.46 N HETATM 1656 C6 TOP X 301 -7.740 -0.546 13.474 1.00 8.17 C HETATM 1657 N7 TOP X 301 -8.169 0.078 14.669 1.00 19.32 N HETATM 1658 C8 TOP X 301 -6.610 -0.128 12.726 1.00 18.73 C HETATM 1659 C9 TOP X 301 -5.871 1.129 13.135 1.00 20.72 C HETATM 1660 C10 TOP X 301 -4.650 1.450 12.359 1.00 22.90 C HETATM 1661 C11 TOP X 301 -4.766 1.837 11.024 1.00 24.93 C HETATM 1662 C12 TOP X 301 -3.611 2.123 10.272 1.00 27.80 C HETATM 1663 O13 TOP X 301 -3.639 2.529 8.982 1.00 28.24 O HETATM 1664 C14 TOP X 301 -4.754 3.285 8.512 1.00 29.27 C HETATM 1665 C15 TOP X 301 -2.301 1.995 10.894 1.00 29.20 C HETATM 1666 O16 TOP X 301 -1.152 2.258 10.214 1.00 32.40 O HETATM 1667 C17 TOP X 301 -0.789 3.621 10.033 1.00 30.72 C HETATM 1668 C18 TOP X 301 -2.230 1.577 12.283 1.00 26.68 C HETATM 1669 O19 TOP X 301 -0.994 1.466 12.851 1.00 24.77 O HETATM 1670 C20 TOP X 301 -0.958 1.355 14.274 1.00 21.66 C HETATM 1671 C21 TOP X 301 -3.427 1.287 12.974 1.00 24.54 C HETATM 0 HN72 TOP X 301 -7.787 0.800 14.938 1.00 19.32 H new HETATM 0 HN71 TOP X 301 -8.812 -0.265 15.126 1.00 19.32 H new HETATM 0 HN42 TOP X 301 -9.742 -3.734 12.229 1.00 13.89 H new HETATM 0 HN41 TOP X 301 -8.857 -4.052 11.073 1.00 13.89 H new HETATM 0 H203 TOP X 301 -1.363 2.142 14.671 1.00 21.66 H new HETATM 0 H202 TOP X 301 -1.449 0.565 14.550 1.00 21.66 H new HETATM 0 H201 TOP X 301 -0.037 1.282 14.570 1.00 21.66 H new HETATM 0 H173 TOP X 301 -1.487 4.079 9.540 1.00 30.72 H new HETATM 0 H172 TOP X 301 -0.675 4.043 10.899 1.00 30.72 H new HETATM 0 H171 TOP X 301 0.043 3.671 9.537 1.00 30.72 H new HETATM 0 H143 TOP X 301 -5.566 2.765 8.618 1.00 29.27 H new HETATM 0 H142 TOP X 301 -4.828 4.106 9.024 1.00 29.27 H new HETATM 0 H141 TOP X 301 -4.628 3.499 7.574 1.00 29.27 H new HETATM 0 H92 TOP X 301 -6.483 1.879 13.066 1.00 20.72 H new HETATM 0 H91 TOP X 301 -5.626 1.048 14.070 1.00 20.72 H new HETATM 0 H21 TOP X 301 -3.388 0.970 13.890 1.00 24.54 H new HETATM 0 H11 TOP X 301 -5.642 1.909 10.614 1.00 24.93 H new HETATM 0 H1 TOP X 301 -5.675 -0.769 11.017 1.00 6.20 H new HETATM 1672 PA NDP X 302 -2.772 4.207 22.652 1.00 23.11 P HETATM 1673 O1A NDP X 302 -3.950 3.750 23.431 1.00 20.49 O HETATM 1674 O2A NDP X 302 -2.748 4.333 21.185 1.00 20.11 O HETATM 1675 O5B NDP X 302 -2.187 5.568 23.175 1.00 21.43 O HETATM 1676 C5B NDP X 302 -2.046 5.659 24.640 1.00 23.91 C HETATM 1677 C4B NDP X 302 -1.855 7.071 24.968 1.00 22.38 C HETATM 1678 O4B NDP X 302 -3.049 7.716 24.410 1.00 25.36 O HETATM 1679 C3B NDP X 302 -1.947 7.246 26.513 1.00 23.25 C HETATM 1680 O3B NDP X 302 -0.647 7.529 26.968 1.00 26.34 O HETATM 1681 C2B NDP X 302 -2.751 8.511 26.596 1.00 25.49 C HETATM 1682 O2B NDP X 302 -2.005 9.617 26.114 1.00 23.95 O HETATM 1683 C1B NDP X 302 -3.800 8.276 25.505 1.00 23.50 C HETATM 1684 N9A NDP X 302 -4.975 7.556 26.032 1.00 28.44 N HETATM 1685 C8A NDP X 302 -5.365 6.297 25.737 1.00 25.93 C HETATM 1686 N7A NDP X 302 -6.479 6.022 26.392 1.00 27.06 N HETATM 1687 C5A NDP X 302 -6.799 7.101 27.110 1.00 29.58 C HETATM 1688 C6A NDP X 302 -7.841 7.398 27.984 1.00 30.27 C HETATM 1689 N6A NDP X 302 -8.776 6.471 28.240 1.00 34.22 N HETATM 1690 N1A NDP X 302 -7.895 8.619 28.557 1.00 30.53 N HETATM 1691 C2A NDP X 302 -6.968 9.546 28.311 1.00 31.06 C HETATM 1692 N3A NDP X 302 -5.966 9.304 27.454 1.00 29.32 N HETATM 1693 C4A NDP X 302 -5.841 8.076 26.897 1.00 27.65 C HETATM 1694 O3 NDP X 302 -1.445 3.366 22.976 1.00 23.63 O HETATM 1695 PN NDP X 302 -1.104 1.853 23.253 1.00 27.29 P HETATM 1696 O1N NDP X 302 -1.904 1.531 24.496 1.00 20.56 O HETATM 1697 O2N NDP X 302 0.404 1.873 23.346 1.00 28.43 O HETATM 1698 O5D NDP X 302 -1.486 1.071 22.005 1.00 24.43 O HETATM 1699 C5D NDP X 302 -0.787 1.436 20.774 1.00 23.54 C HETATM 1700 C4D NDP X 302 -0.313 0.145 20.073 1.00 25.37 C HETATM 1701 O4D NDP X 302 -1.501 -0.516 19.537 1.00 24.97 O HETATM 1702 C3D NDP X 302 0.692 0.256 18.909 1.00 25.18 C HETATM 1703 O3D NDP X 302 1.494 -0.949 18.959 1.00 23.02 O HETATM 1704 C2D NDP X 302 -0.208 0.262 17.720 1.00 24.16 C HETATM 1705 O2D NDP X 302 0.443 -0.138 16.503 1.00 26.12 O HETATM 1706 C1D NDP X 302 -1.250 -0.768 18.129 1.00 25.34 C HETATM 1707 N1N NDP X 302 -2.570 -0.634 17.512 1.00 24.87 N HETATM 1708 C2N NDP X 302 -3.123 -1.784 16.922 1.00 21.49 C HETATM 1709 C3N NDP X 302 -4.364 -1.724 16.321 1.00 21.43 C HETATM 1710 C7N NDP X 302 -4.912 -2.987 15.609 1.00 18.40 C HETATM 1711 O7N NDP X 302 -6.016 -2.957 15.110 1.00 12.93 O HETATM 1712 N7N NDP X 302 -4.104 -4.052 15.488 1.00 19.80 N HETATM 1713 C4N NDP X 302 -5.084 -0.515 16.326 1.00 20.65 C HETATM 1714 C5N NDP X 302 -4.526 0.618 16.922 1.00 25.32 C HETATM 1715 C6N NDP X 302 -3.296 0.579 17.557 1.00 25.47 C HETATM 1716 P2B NDP X 302 -1.026 10.642 27.017 1.00 25.23 P HETATM 1717 O1X NDP X 302 0.191 9.800 27.303 1.00 25.98 O HETATM 1718 O2X NDP X 302 -0.929 11.883 26.167 1.00 23.29 O HETATM 1719 O3X NDP X 302 -1.873 10.858 28.436 1.00 23.56 O HETATM 0 HO3N NDP X 302 1.629 -1.229 18.179 1.00 23.02 H new HETATM 0 HO3A NDP X 302 -0.371 8.236 26.608 1.00 26.34 H new HETATM 0 HO2N NDP X 302 -0.074 -0.625 16.055 1.00 26.12 H new HETATM 0 H72N NDP X 302 -4.386 -4.764 15.097 1.00 19.80 H new HETATM 0 H71N NDP X 302 -3.304 -4.023 15.802 1.00 19.80 H new HETATM 0 H62A NDP X 302 -9.422 6.649 28.779 1.00 34.22 H new HETATM 0 H61A NDP X 302 -8.730 5.698 27.865 1.00 34.22 H new HETATM 0 H52N NDP X 302 -1.375 1.939 20.190 1.00 23.54 H new HETATM 0 H52A NDP X 302 -2.835 5.308 25.082 1.00 23.91 H new HETATM 0 H51N NDP X 302 -0.029 2.008 20.974 1.00 23.54 H new HETATM 0 H51A NDP X 302 -1.291 5.131 24.945 1.00 23.91 H new HETATM 0 H42N NDP X 302 -5.280 -0.290 15.403 1.00 20.65 H new HETATM 0 H41N NDP X 302 -5.933 -0.685 16.763 1.00 20.65 H new HETATM 0 H8A NDP X 302 -4.901 5.691 25.139 1.00 25.93 H new HETATM 0 H6N NDP X 302 -2.944 1.357 18.017 1.00 25.47 H new HETATM 0 H5N NDP X 302 -5.014 1.456 16.890 1.00 25.32 H new HETATM 0 H4D NDP X 302 0.173 -0.328 20.766 1.00 25.37 H new HETATM 0 H4B NDP X 302 -1.010 7.419 24.642 1.00 22.38 H new HETATM 0 H3D NDP X 302 1.288 1.021 18.916 1.00 25.18 H new HETATM 0 H3B NDP X 302 -2.309 6.494 27.008 1.00 23.25 H new HETATM 0 H2N NDP X 302 -2.632 -2.620 16.937 1.00 21.49 H new HETATM 0 H2D NDP X 302 -0.551 1.147 17.518 1.00 24.16 H new HETATM 0 H2B NDP X 302 -3.058 8.687 27.499 1.00 25.49 H new HETATM 0 H2A NDP X 302 -7.020 10.406 28.758 1.00 31.06 H new HETATM 0 H1D NDP X 302 -0.892 -1.632 17.873 1.00 25.34 H new HETATM 0 H1B NDP X 302 -4.248 9.067 25.166 1.00 23.50 H new HETATM 1720 O HOH X 401 -22.343 0.091 16.805 1.00 14.59 O HETATM 1721 O HOH X 402 -20.047 -13.871 29.152 1.00 17.53 O HETATM 1722 O HOH X 403 -17.013 -14.719 23.781 1.00 17.96 O HETATM 1723 O HOH X 404 -12.019 -5.329 12.119 1.00 18.03 O HETATM 1724 O HOH X 405 -14.461 -6.670 11.009 1.00 25.39 O HETATM 1725 O HOH X 406 -11.703 7.463 28.325 1.00 28.90 O HETATM 1726 O HOH X 407 -23.271 -2.779 24.745 1.00 18.87 O HETATM 1727 O HOH X 408 -17.638 25.877 21.712 1.00 21.64 O HETATM 1728 O HOH X 409 -10.804 17.433 26.825 1.00 27.11 O HETATM 1729 O HOH X 410 -3.569 -4.464 9.774 1.00 21.91 O HETATM 1730 O HOH X 411 -21.374 -15.856 19.149 1.00 26.10 O HETATM 1731 O HOH X 412 -19.417 2.811 8.546 1.00 19.76 O HETATM 1732 O HOH X 413 -20.387 -15.759 22.149 1.00 23.37 O HETATM 1733 O HOH X 414 -7.423 4.619 6.955 1.00 28.42 O HETATM 1734 O HOH X 415 -9.356 -15.403 20.069 1.00 28.28 O HETATM 1735 O HOH X 416 0.138 -12.984 19.143 1.00 24.13 O HETATM 1736 O HOH X 417 -13.610 -12.636 6.186 1.00 28.59 O HETATM 1737 O HOH X 418 -17.079 -14.795 10.718 1.00 37.42 O HETATM 1738 O HOH X 419 -26.341 -5.744 10.597 1.00 24.83 O HETATM 1739 O HOH X 420 -16.504 9.452 7.025 1.00 30.12 O HETATM 1740 O HOH X 421 -26.429 -16.064 26.504 1.00 39.98 O HETATM 1741 O HOH X 422 -27.565 -10.513 26.850 1.00 39.40 O HETATM 1742 O HOH X 423 -24.387 -5.209 28.597 1.00 42.47 O HETATM 1743 O HOH X 424 0.554 11.426 30.955 1.00 30.00 O HETATM 1744 O HOH X 425 -21.787 20.989 26.116 1.00 30.00 O HETATM 1745 O HOH X 426 -26.091 -12.238 13.061 1.00 30.00 O CONECT 1651 1652 1658 CONECT 1652 1651 1653 CONECT 1653 1652 1654 1655 CONECT 1654 1653 CONECT 1655 1653 1656 CONECT 1656 1655 1657 1658 CONECT 1657 1656 CONECT 1658 1651 1656 1659 CONECT 1659 1658 1660 CONECT 1660 1659 1661 1671 CONECT 1661 1660 1662 CONECT 1662 1661 1663 1665 CONECT 1663 1662 1664 CONECT 1664 1663 CONECT 1665 1662 1666 1668 CONECT 1666 1665 1667 CONECT 1667 1666 CONECT 1668 1665 1669 1671 CONECT 1669 1668 1670 CONECT 1670 1669 CONECT 1671 1660 1668 CONECT 1672 1673 1674 1675 1694 CONECT 1673 1672 CONECT 1674 1672 CONECT 1675 1672 1676 CONECT 1676 1675 1677 CONECT 1677 1676 1678 1679 CONECT 1678 1677 1683 CONECT 1679 1677 1680 1681 CONECT 1680 1679 CONECT 1681 1679 1682 1683 CONECT 1682 1681 1716 CONECT 1683 1678 1681 1684 CONECT 1684 1683 1685 1693 CONECT 1685 1684 1686 CONECT 1686 1685 1687 CONECT 1687 1686 1688 1693 CONECT 1688 1687 1689 1690 CONECT 1689 1688 CONECT 1690 1688 1691 CONECT 1691 1690 1692 CONECT 1692 1691 1693 CONECT 1693 1684 1687 1692 CONECT 1694 1672 1695 CONECT 1695 1694 1696 1697 1698 CONECT 1696 1695 CONECT 1697 1695 CONECT 1698 1695 1699 CONECT 1699 1698 1700 CONECT 1700 1699 1701 1702 CONECT 1701 1700 1706 CONECT 1702 1700 1703 1704 CONECT 1703 1702 CONECT 1704 1702 1705 1706 CONECT 1705 1704 CONECT 1706 1701 1704 1707 CONECT 1707 1706 1708 1715 CONECT 1708 1707 1709 CONECT 1709 1708 1710 1713 CONECT 1710 1709 1711 1712 CONECT 1711 1710 CONECT 1712 1710 CONECT 1713 1709 1714 CONECT 1714 1713 1715 CONECT 1715 1707 1714 CONECT 1716 1682 1717 1718 1719 CONECT 1717 1716 CONECT 1718 1716 CONECT 1719 1716 END